#METABOLOMICS WORKBENCH iharris_20240529_115820 DATATRACK_ID:4878 STUDY_ID:ST003243 ANALYSIS_ID:AN005313 PROJECT_ID:PR002013 VERSION 1 CREATED_ON June 4, 2024, 3:46 pm #PROJECT PR:PROJECT_TITLE Lipidomic analysis of serum following the genetic deletion of glutamate-cysteine PR:PROJECT_TITLE ligase catalytic subunit (Gclc), Nrf2, or both in the liver of mice. PR:PROJECT_SUMMARY Lipidomic studies on serum samples from wildtype, liver-specific deletion of PR:PROJECT_SUMMARY Gclc, liver-specific deletion of Nrf2, and liver-specific deletion of Gclc and PR:PROJECT_SUMMARY Nrf2. Here, we find that triglycerides in the serum of liver-specific deletion PR:PROJECT_SUMMARY of Gclc mice are decreased compared to wildtype mice. Further, we find that this PR:PROJECT_SUMMARY decrease in triglycerides is reversed in the serum of liver-specific deletion of PR:PROJECT_SUMMARY Gclc and Nrf2 mice. This suggests that loss of Gclc lowers the serum PR:PROJECT_SUMMARY triglyceride in mice in a NRF2-dependent manner. PR:INSTITUTE University of Rochester Medical Center PR:LAST_NAME Harris PR:FIRST_NAME Isaac PR:ADDRESS 601 Elmwood Ave, Rochester, New York, 14642-0001, USA PR:EMAIL isaac_harris@urmc.rochester.edu PR:PHONE 8572348624 #STUDY ST:STUDY_TITLE Lipidomic analysis of serum from WT, liver-specific Gclc KO, liver-specific Nrf2 ST:STUDY_TITLE KO, and liver-specific Gclc-Nrf2 DKO mice. ST:STUDY_SUMMARY The rate-limiting enzyme in glutathione (GSH) synthesis is Gclc. GSH synthesis ST:STUDY_SUMMARY is suggested to be implicated in lipogenesis. Loss of GSH synthesis is suggested ST:STUDY_SUMMARY to increase the activity of NRF2. To examine the impact of GSH and NRF2 on lipid ST:STUDY_SUMMARY abundance in serum, we performed lipidomic analysis of serum from WT, ST:STUDY_SUMMARY liver-specific Gclc KO, liver-specific Nrf2 KO, and liver-specific Gclc-Nrf2 DKO ST:STUDY_SUMMARY mice. ST:INSTITUTE University of Rochester Medical Center ST:LAST_NAME Harris ST:FIRST_NAME Isaac ST:ADDRESS 601 Elmwood Ave, Rochester, New York, 14642-0001, USA ST:EMAIL isaac_harris@urmc.rochester.edu ST:PHONE 8572348624 #SUBJECT SU:SUBJECT_TYPE Mammal SU:SUBJECT_SPECIES Mus musculus SU:TAXONOMY_ID 10090 SU:GENDER Male and female #FACTORS #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 24-08-18-2022-POS-Isaac-S01 Sample source:Serum | Genotype:Liver-specific Gclc KO RAW_FILE_NAME(Raw file name)=24-08-18-2022-POS-Isaac-S01.raw SUBJECT_SAMPLE_FACTORS - 25-08-18-2022-POS-Isaac-S02 Sample source:Serum | Genotype:Liver-specific Gclc KO RAW_FILE_NAME(Raw file name)=25-08-18-2022-POS-Isaac-S02.raw SUBJECT_SAMPLE_FACTORS - 26-08-18-2022-POS-Isaac-S03 Sample source:Serum | Genotype:Liver-specific Gclc KO RAW_FILE_NAME(Raw file name)=26-08-18-2022-POS-Isaac-S03.raw SUBJECT_SAMPLE_FACTORS - 27-08-18-2022-POS-Isaac-S04 Sample source:Serum | Genotype:Liver-specific Gclc KO RAW_FILE_NAME(Raw file name)=27-08-18-2022-POS-Isaac-S04.raw SUBJECT_SAMPLE_FACTORS - 28-08-18-2022-POS-Isaac-S05 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=28-08-18-2022-POS-Isaac-S05.raw SUBJECT_SAMPLE_FACTORS - 29-08-18-2022-POS-Isaac-S06 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=29-08-18-2022-POS-Isaac-S06.raw SUBJECT_SAMPLE_FACTORS - 30-08-18-2022-POS-Isaac-S07 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=30-08-18-2022-POS-Isaac-S07.raw SUBJECT_SAMPLE_FACTORS - 31-08-18-2022-POS-Isaac-S08 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=31-08-18-2022-POS-Isaac-S08.raw SUBJECT_SAMPLE_FACTORS - 32-08-18-2022-POS-Isaac-S09 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=32-08-18-2022-POS-Isaac-S09.raw SUBJECT_SAMPLE_FACTORS - 33-08-18-2022-POS-Isaac-S10 Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO RAW_FILE_NAME(Raw file name)=33-08-18-2022-POS-Isaac-S10.raw SUBJECT_SAMPLE_FACTORS - 39-08-18-2022-POS-Isaac-S15 Sample source:Serum | Genotype:Liver-specific Nrf2 KO RAW_FILE_NAME(Raw file name)=39-08-18-2022-POS-Isaac-S15.raw SUBJECT_SAMPLE_FACTORS - 40-08-18-2022-POS-Isaac-S16 Sample source:Serum | Genotype:Liver-specific Nrf2 KO RAW_FILE_NAME(Raw file name)=40-08-18-2022-POS-Isaac-S16.raw SUBJECT_SAMPLE_FACTORS - 41-08-18-2022-POS-Isaac-S17 Sample source:Serum | Genotype:Liver-specific Nrf2 KO RAW_FILE_NAME(Raw file name)=41-08-18-2022-POS-Isaac-S17.raw SUBJECT_SAMPLE_FACTORS - 42-08-18-2022-POS-Isaac-S18 Sample source:Serum | Genotype:Liver-specific Nrf2 KO RAW_FILE_NAME(Raw file name)=42-08-18-2022-POS-Isaac-S18.raw SUBJECT_SAMPLE_FACTORS - 35-08-18-2022-POS-Isaac-S11 Sample source:Serum | Genotype:WT RAW_FILE_NAME(Raw file name)=35-08-18-2022-POS-Isaac-S11.raw SUBJECT_SAMPLE_FACTORS - 36-08-18-2022-POS-Isaac-S12 Sample source:Serum | Genotype:WT RAW_FILE_NAME(Raw file name)=36-08-18-2022-POS-Isaac-S12.raw SUBJECT_SAMPLE_FACTORS - 37-08-18-2022-POS-Isaac-S13 Sample source:Serum | Genotype:WT RAW_FILE_NAME(Raw file name)=37-08-18-2022-POS-Isaac-S13.raw SUBJECT_SAMPLE_FACTORS - 38-08-18-2022-POS-Isaac-S14 Sample source:Serum | Genotype:WT RAW_FILE_NAME(Raw file name)=38-08-18-2022-POS-Isaac-S14.raw #COLLECTION CO:COLLECTION_SUMMARY Mice were anesthetized with isoflurane, after which blood was collected via the CO:COLLECTION_SUMMARY retro-orbital venous sinus into BD microtainer tubes (BD #365967). Serum was CO:COLLECTION_SUMMARY isolated from the blood by centrifuging blood samples at 10000 xg for 5mins and CO:COLLECTION_SUMMARY stored at -80C. CO:SAMPLE_TYPE Blood (serum) #TREATMENT TR:TREATMENT_SUMMARY WT (Gclc f/f), liver-specific Gclc KO (Gclc f/f), liver-specific Nrf2 KO (Nrf2 TR:TREATMENT_SUMMARY f/f) and liver-specific Gclc-Nrf2 DKO (Gclc f/f Nrf2 f/f) were induced by TR:TREATMENT_SUMMARY injecting mice via the tail vein with 2.5x1011 GC of AAV-TBG-Cre (Addgene, TR:TREATMENT_SUMMARY 107787-AAV8) in PBS. After 21 days, serum was isolated and stored at -80C. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For serum for WT, liver-specific Gclc KO, liver-specific Nrf2 KO, and SP:SAMPLEPREP_SUMMARY liver-specific Gclc-Nrf2 DKO, 20 µL of mouse serum was combined with 180 µL of SP:SAMPLEPREP_SUMMARY chloroform:methanol extraction solvent (v:v=1:2) containing internal standards SP:SAMPLEPREP_SUMMARY at the final concentrations: 5nM D7-Sphinganine (Avanti Polar Lipids Inc., Cat# SP:SAMPLEPREP_SUMMARY 860658), 12.5nM D3-Deoxysphinganine (Avanti Polar Lipids Inc., Cat# 860474), and SP:SAMPLEPREP_SUMMARY SPLASH LIPIDOMIX (1:1000, Avanti Polar Lipids Inc., Cat# 330707). After SP:SAMPLEPREP_SUMMARY sonicating (1400 rpm, 20°C, 5 min), the extracts were cleared by centrifugation SP:SAMPLEPREP_SUMMARY (17,000g, 20°C, 10 min), and the lipids in the supernatant were analyzed by SP:SAMPLEPREP_SUMMARY LC-MS. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME Perkin Elmer Brownlee SPP C18 (75 x 2.1mm, 2.7um) CH:SOLVENT_A 100% water; 0.1% formic acid; 10mM ammonium acetate CH:SOLVENT_B 50% acetonitrile/50% isopropanol; 0.1% formic acid; 10mM ammonium acetate CH:FLOW_GRADIENT 0–2 min 35% B, 2–8 min from 35 to 80% B, 8–22 min from 80 to 99% B, CH:FLOW_GRADIENT 22–36 min 99% B, and 36.1–40 min from 99 to 35% B CH:FLOW_RATE 0.400 mL/min CH:COLUMN_TEMPERATURE 50 #ANALYSIS AN:ANALYSIS_TYPE MS AN:LABORATORY_NAME DeNicola Lab (Moffitt Cancer Center) #MS MS:INSTRUMENT_NAME Thermo Q Exactive HF hybrid Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS MS2 scan conditions were applied in positive mode, the scan range was from m/z MS:MS_COMMENTS 120–1000, resolution was 120,000 for MS, and 30,000 for DDMS2 (top 10), and MS:MS_COMMENTS the AGC target was 3E6 for full MS and 1E5 for DDMS2, allowing ions to MS:MS_COMMENTS accumulate for up to 200 ms for MS and 50 ms for MS/MS. For MS/MS, the MS:MS_COMMENTS following settings are used: isolation window width 1.2 m/z, stepped NCE at MS:MS_COMMENTS 10, 15, and 25 a.u., minimum AGC 5E2, and dynamic exclusion of previously MS:MS_COMMENTS sampled peaks for 8 s. Quality control (QC) samples were included to check the MS:MS_COMMENTS technical variability and were prepared by mixing an equal volume of lipid MS:MS_COMMENTS extract from each tissue or serum sample. QC samples were included in the MS:MS_COMMENTS analysis sequence every ten samples and monitored for changes in peak area, MS:MS_COMMENTS width, and retention time to determine the performance of the LC-MS/MS analysis. MS:MS_COMMENTS QC samples were subsequently used to align the analytical batches. The lipid MS:MS_COMMENTS peaks were identified, aligned, and exported using MS-DIAL. The data were MS:MS_COMMENTS further normalized to the median value of total lipid signals. Only lipids fully MS:MS_COMMENTS identified by MS2 spectra were included in the analysis. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Normalized to the median value of total lipid signals MS_METABOLITE_DATA_START Samples 24-08-18-2022-POS-Isaac-S01 25-08-18-2022-POS-Isaac-S02 26-08-18-2022-POS-Isaac-S03 27-08-18-2022-POS-Isaac-S04 28-08-18-2022-POS-Isaac-S05 29-08-18-2022-POS-Isaac-S06 30-08-18-2022-POS-Isaac-S07 31-08-18-2022-POS-Isaac-S08 32-08-18-2022-POS-Isaac-S09 33-08-18-2022-POS-Isaac-S10 39-08-18-2022-POS-Isaac-S15 40-08-18-2022-POS-Isaac-S16 41-08-18-2022-POS-Isaac-S17 42-08-18-2022-POS-Isaac-S18 35-08-18-2022-POS-Isaac-S11 36-08-18-2022-POS-Isaac-S12 37-08-18-2022-POS-Isaac-S13 38-08-18-2022-POS-Isaac-S14 Factors Sample source:Serum | Genotype:Liver-specific Gclc KO Sample source:Serum | Genotype:Liver-specific Gclc KO Sample source:Serum | Genotype:Liver-specific Gclc KO Sample source:Serum | Genotype:Liver-specific Gclc KO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Gclc-Nrf2 DKO Sample source:Serum | Genotype:Liver-specific Nrf2 KO Sample source:Serum | Genotype:Liver-specific Nrf2 KO Sample source:Serum | Genotype:Liver-specific Nrf2 KO Sample source:Serum | Genotype:Liver-specific Nrf2 KO Sample source:Serum | Genotype:WT Sample source:Serum | Genotype:WT Sample source:Serum | Genotype:WT Sample source:Serum | Genotype:WT Adenosine 5'-monophosphate 0.03266314 -0.35250658 -0.18315945 -0.52898047 -0.69159687 -0.56718174 0.14491622 0.82525915 2.65100142 0.2304771 -0.83567738 -0.7622686 2.09880782 0.40799104 -0.81330876 -0.89885146 0.05195601 -0.8095406 BMP 40:8|BMP 18:2_22:6 3.949633779 0.068061685 -0.06996587 -0.22112143 -0.341588843 -0.33614977 -0.346213453 -0.277237175 0.006189852 -0.340344626 -0.34079622 -0.339876397 -0.341887857 0.206460738 -0.338146194 -0.338391727 -0.315031039 -0.283595454 BMP 44:12|BMP 22:6_22:6 -0.91892355 1.19293912 1.94141773 1.2080423 -0.98548872 0.53347631 0.04184551 0.05529912 -0.27861709 -0.97502744 0.62863388 -0.97109062 -0.07375675 1.78804114 -0.95654321 -0.95860763 -0.76219296 -0.50944714 CAR 16:0 -0.670231429 0.608308807 0.431220294 1.531213744 -0.992067563 0.846457497 -1.146191594 0.084286672 1.597992997 -0.236090063 0.77093181 -0.190791469 -0.299045344 1.477931025 -0.000466133 -0.876431537 -1.338760178 -1.598267537 CAR 18:0 1.0534797 1.2940308 1.3410318 2.6322339 -0.2011617 0.1192652 -0.3836864 0.2072696 -0.5782944 -0.8907237 -0.3902584 -0.5286275 -1.2266729 -0.6656662 -0.1250571 0.0797062 -0.5474766 -1.1893925 CAR 18:2 -0.78863713 -0.47959047 0.10664654 0.03881927 -0.70807635 0.01982929 -0.83667763 0.99194382 2.85071894 0.05961381 1.2424507 -0.34970045 -0.12416895 0.87738365 0.218463 -0.81363429 -1.13093919 -1.17444455 CAR 20:2 -0.69380966 0.09328594 0.73865892 1.26649888 -0.98516792 0.46717078 -0.73774837 0.55486249 2.54135626 -0.17782156 -0.273389 -0.17377686 -0.15087144 1.12312141 -0.04250371 -0.80931349 -1.25192365 -1.48862901 CAR 20:4 -0.80552726 -0.41923454 -0.25422677 0.03437594 -0.58607826 0.52540578 -0.72730251 0.72764914 3.13253763 0.31501414 0.39759553 -0.24397472 -0.28555429 1.0503977 0.05092887 -0.53258703 -1.19125016 -1.18816921 Carnitine 2.5175284 0.5038653 -0.0570781 -0.7604046 -0.5122099 1.2148526 -1.1728443 -0.4689923 0.2091621 0.0577627 -0.7576759 0.2318828 0.1682055 0.485581 0.8023145 0.5632883 -1.4206706 -1.6045675 CE 18:1 0.99032461 2.04312007 1.59664525 0.87403053 -0.66822444 0.62253267 0.02265703 -0.32198538 -0.08377376 -0.23132534 -0.22863892 -0.25536182 -0.86067402 -1.50243998 0.70201633 0.09581582 -1.46848969 -1.32622897 CE 18:2 1.42802 1.8819944 2.0289267 0.8822278 -0.3787269 0.6392597 -1.477502 -0.2937015 -0.2985285 -0.1354897 -0.368479 0.1336675 -0.5577347 -0.5275558 -0.2610285 -0.4089524 -1.104868 -1.1815294 CE 20:5 1.1177106 2.15190759 1.99093657 1.51149102 -0.68058258 -0.24165543 -1.29325746 -0.53671556 -0.68943269 -0.49698321 0.08381633 0.08051914 -0.59917633 -0.59307909 -0.25996994 -0.32078561 -0.5066468 -0.71809656 CE 22:6 0.58692479 2.02321049 0.78070792 -0.60106172 -0.98286851 1.51398127 -1.35096877 -1.07392941 -0.99878491 -1.05227199 0.15521461 1.10004431 0.87561803 -0.1036299 0.40918906 -0.1660623 -0.09869513 -1.01661785 Cer 34:1;2O|Cer 18:1;2O/16:0 0.1593565 1.8967514 0.9025362 2.7495548 -0.3817954 -0.1607328 0.7882744 -0.4289748 -0.1852398 -0.4194735 -0.3704982 -0.2890257 -1.1408175 -0.1549363 -0.7651908 -0.6259066 -0.6242392 -0.9496427 Cer 36:1;2O|Cer 18:1;2O/18:0 0.23270027 2.80344848 0.03772154 2.11328699 -0.38128203 0.4874493 0.13377127 -0.47894199 0.14903891 -0.45969766 0.01762605 -0.19703488 -0.78242245 -0.83465104 -0.22018646 -0.65949297 -0.96428169 -0.99705165 Cer 38:1;2O|Cer 18:1;2O/20:0 -0.26425434 1.54209323 0.36377414 2.88244392 -0.78596463 -0.06585867 -0.34501684 0.27067353 1.27940625 0.08078246 -0.71970198 -0.56482734 -0.50138896 -0.75270497 -1.10041968 -0.79214588 -0.1601565 -0.36673371 Cer 39:1;2O|Cer 18:1;2O/21:0 0.10196566 1.40397349 0.54614963 2.68256777 -1.06545759 -0.07065693 -0.8686123 0.13622381 0.53115606 -0.17996251 -0.60991868 0.11177986 -0.51240231 -1.40462705 -0.04781922 -1.53242529 0.28196605 0.49609956 Cer 40:0;2O|Cer 18:0;2O/22:0 0.85277635 0.73837256 0.90669598 3.01407835 -0.1000936 -0.19844268 0.07194853 0.16497072 0.36332401 0.06550918 -0.59448434 -0.57052773 -1.27230093 -0.63073779 -1.00410357 -0.92807864 -1.01017253 0.13126615 Cer 40:1;2O|Cer 18:1;2O/22:0 -0.232287027 1.193211172 0.424389871 3.297058485 -0.734190394 -0.276046592 -0.316467714 0.274844154 0.751017341 0.002722508 -0.733132422 -0.773126228 -0.291409908 -0.806508929 -0.692019467 -0.859441748 -0.07981853 -0.148794571 Cer 40:2;2O|Cer 18:2;2O/22:0 -0.71222429 0.2272298 -0.29104809 1.89179016 -0.94820556 -1.05702668 -0.6109856 0.33314656 0.65921016 -0.01809407 -0.62380586 -0.58928824 0.78751349 -0.74757168 -0.83843944 -0.98090771 1.5713324 1.94737467 Cer 40:3;3O|Cer 18:1;2O/22:2;O -0.370286707 1.998701725 0.130272255 2.605491368 -0.690555951 -0.049344963 -0.563448455 0.236701643 1.413640432 -0.008944147 -0.366509528 -0.931194488 -0.43453922 -0.582567736 -0.507135168 -1.031169118 -0.441965947 -0.407145995 Cer 41:1;2O|Cer 18:1;2O/23:0 0.12254998 1.80167479 0.42088052 2.94590716 -0.58802125 0.28139951 -0.24820809 -0.55798385 -0.20894845 -0.56762089 0.22022409 0.01114752 -1.11268165 -0.90640179 0.38219934 -0.36301385 -0.82218229 -0.81092078 Cer 41:2;2O|Cer 17:1;2O/24:1 -0.46110561 1.78801873 -0.99836706 2.04425863 -0.52528199 0.04109668 -0.83639025 -0.31863858 1.57120198 -1.03976054 1.31974405 -0.26625848 -0.40616025 -0.48358262 -1.24620069 0.01212859 -0.0611608 -0.13354178 Cer 42:0;2O|Cer 18:0;2O/24:0 0.59339735 0.65992038 1.19553167 3.152385 -0.23031588 0.03654279 0.26268038 -0.16498121 -0.06000947 -0.38242474 -0.61342618 -0.29115694 -1.31154218 -0.98317032 -0.83674709 -0.71904013 -0.41149369 0.10385026 Cer 42:1;2O|Cer 18:0;2O/24:1 -0.01196975 0.75711184 -0.03873796 2.04227176 -0.27720564 0.42015122 0.6647974 0.0844768 0.78263544 0.15861765 -0.20068114 -0.84488495 -1.55721474 -0.51660269 -0.83960517 -1.12895415 -1.38430123 1.89009531 Cer 42:1;2O|Cer 18:1;2O/24:0 -0.01919216 0.95399197 0.48840419 3.6058764 -0.74657232 -0.2337199 -0.2830393 -0.35251309 -0.05480774 -0.49795015 -0.13190063 -0.2167772 -0.57496667 -0.88165324 0.07083269 -0.68313489 -0.36155911 -0.08131884 Cer 42:1;3O|Cer 18:1;2O/24:0;O 0.17947937 0.81446927 1.00659381 3.26573788 0.00517793 0.02933135 -0.23213888 0.22932495 -0.10147514 0.16167575 -0.24808092 -0.45958631 -0.88289622 -0.09874811 -0.98069128 -0.71776684 -1.01786688 -0.95253974 Cer 42:2;2O|Cer 18:1;2O/24:1 -1.12758935 1.3564343 -0.99769549 2.63115424 -1.47057607 0.1911415 0.93199137 -0.67684549 0.68763132 -0.75150922 0.64728438 0.01845906 -0.04539659 -0.01056212 0.24922861 -0.65742672 -0.40135699 -0.57436676 Cer 42:2;2O|Cer 18:2;2O/24:0 -0.76609818 0.81218318 0.4627978 2.90092611 -1.24487917 -0.24194982 -0.91380375 -0.27069723 0.72348249 -0.46856296 -0.08412751 -0.37064858 -0.74172683 -0.97128214 -0.23398343 -0.53113383 0.9039979 1.03550595 Cer 42:3;2O|Cer 18:1;2O/24:2 -1.07873855 0.66820233 -0.50337123 2.44979363 -1.17175226 0.42333996 0.67855311 -0.37400506 1.73344131 -0.30323362 0.50249624 -0.54746309 0.22192838 0.28183545 -0.97679471 -0.8672131 0.08423852 -1.22125732 Cer 42:3;2O|Cer 18:2;2O/24:1 -1.520881604 0.636191369 -0.628682199 2.612043032 -1.038016154 0.179448186 0.269115753 -0.005587634 1.636690929 -0.272851521 0.576622628 0.189254695 -0.198006523 -0.167672505 -0.227866859 -1.329058569 0.202437273 -0.913180296 DG 34:1 -0.23459559 -0.34165313 -1.19717725 -1.51804105 0.01141621 -0.80969585 2.12840448 -0.07194435 -0.43609268 -0.50442517 0.11086115 0.16250239 -0.38920541 0.19246169 -0.48251024 -0.18293651 1.22667945 2.33595188 DG 34:2|DG 16:0_18:2 -0.33032077 -0.76936616 -1.11095784 -1.74016259 1.11798792 -1.10198645 1.82904928 0.77660713 -0.47102635 -0.39009197 0.31384201 0.22139502 -0.40088619 -1.09220337 0.44602848 0.03922223 1.29486585 1.36800376 DG 34:3|DG 16:1_18:2 -1.14380526 -0.52368627 -1.22371935 -0.92574131 -0.11613558 -1.01468543 0.14719823 -0.26832774 -0.07195288 -0.07774689 -0.29639348 -0.50763809 1.41716179 0.04191736 -0.13108465 0.3712892 2.33291359 1.99043676 DG 36:2 0.9297518 0.4076963 -0.7917753 -1.2106023 1.2611938 -0.3482603 1.5994449 0.8740739 0.608875 1.3848508 -0.1898187 0.5064946 -1.0501978 0.2079563 -0.7866209 -1.0107635 -0.6422886 -1.7500101 DG 36:3|DG 18:1_18:2 -0.53585494 -0.71228752 -1.28343013 -1.71054368 0.35500247 -0.99766559 2.68208987 0.07165706 -0.27597526 -0.36263549 0.35062767 -0.06119376 0.55752981 -0.33703946 0.14995276 -0.12862811 1.05127345 1.18712086 DG 36:4|DG 16:0_20:4 0.52160763 2.08429649 -1.05917248 0.36419527 -0.09219749 -0.41039634 1.86531088 -0.27819872 -0.54128125 0.7815417 -1.22202676 -1.17406215 0.53714962 0.54882338 -0.70654933 -1.459985 0.55079081 -0.30984627 DG 36:4|DG 18:2_18:2 -0.927728448 -1.027652361 -0.823611368 -2.030206584 1.402530083 -1.162228243 1.531732804 0.784397991 0.009226516 -0.520774975 -0.059782997 0.072210481 -0.103651285 -0.389935941 0.720078549 0.19122224 0.791793833 1.542379705 DG 36:5|DG 18:2_18:3 -0.5793214 -1.0806216 -1.0306658 -1.4946846 1.8083032 -1.0766324 1.0033069 1.745058 -0.3601566 -0.2834763 -0.5334103 -0.2177004 -0.2297983 -0.154756 -0.249071 0.3500394 0.9977795 1.3858078 DG 38:2 1.8595757 0.8011682 0.3411943 -0.5495818 -0.230052 1.4073508 -1.7423332 -0.2483537 -0.2358893 0.0365926 0.1571223 0.3318093 -0.3823403 0.7735324 0.5964062 0.4900715 -1.6104897 -1.7957833 DG 38:3|DG 18:0_20:3 0.5135351 -0.8559986 0.7924873 -0.8690085 0.7886493 -0.8492356 0.6394429 2.5405037 -0.7334677 1.1917639 -0.8609144 -0.8586024 -0.1979905 -0.8517013 0.130131 -0.8548707 1.0069638 -0.6716873 DG 38:4|DG 18:0_20:4 0.63199566 0.82950045 0.34286393 0.2759352 0.05457641 0.87012916 -0.09062998 2.41813426 0.73575338 0.90842278 -0.54836916 -0.9104537 -0.42251093 -0.21764015 -1.18623276 -1.49149605 -0.69416883 -1.50580967 DG 38:5|DG 18:1_20:4 -0.55553624 0.31190021 -0.64953159 -1.26119987 -0.80654578 -0.52086171 3.07731253 0.39921953 -0.14019929 -0.1836093 -0.11074468 -1.22625446 0.73534892 0.09493256 0.54978237 0.49274989 -0.9234481 0.716685 DG 38:6|DG 16:0_22:6 0.5722364 0.1733478 -0.2836551 -0.9717824 0.6661138 0.2146727 2.531726 2.0018632 0.4712718 -0.3785819 -0.507894 -0.8733322 -0.8047382 0.1634393 -1.0608098 -0.9878254 -0.7084694 -0.2175827 DG 38:6|DG 18:2_20:4 -1.01424999 -0.07858234 0.39626418 -0.75657652 -1.08445546 0.0747499 1.52397178 -1.3091438 0.06205629 -1.71482096 0.53488068 0.4646017 0.39461872 2.00228143 1.39801187 0.01054684 -0.59895287 -0.30520146 DG 40:6|DG 18:0_22:6 -0.29424811 -0.07311956 2.01349464 0.29073464 1.19585873 -0.94738653 0.67797986 2.13603736 0.14982865 0.65099168 -0.54840313 -0.95563841 -0.8489736 -0.94955878 -0.03951911 -0.9523509 -0.97042232 -0.53530513 DG 40:7|DG 18:1_22:6 0.39178537 0.44195915 -0.35921699 -2.14238761 -0.56509817 -0.28908266 2.41999819 -0.53740026 -0.22381501 -0.03496139 0.73209279 -0.14799162 0.42791909 -0.24389894 1.20233336 0.91810302 -0.63240229 -1.35793603 DG 40:8|DG 18:2_22:6 -0.24927633 0.13092531 -0.29029277 -1.24238398 -1.06068243 -0.68947061 0.81860794 -0.54338803 0.30358498 -0.1917862 0.63422194 1.5196772 1.18662063 0.44065075 1.92503415 0.04067478 -0.71712879 -2.01558858 DG 42:6 0.51477259 2.00840556 0.94048113 -0.35995715 -0.78290251 1.69513949 -1.38882382 -0.82724176 -0.75007233 -0.84677208 0.06354695 1.01169449 0.61308345 0.04158188 0.45914694 -0.17463518 -0.79013211 -1.42731556 DG 48:9 -0.79196864 1.7990003 2.31408536 1.69618287 -0.9330183 -0.88250138 -0.6011997 -0.50069839 -0.29181941 0.45882376 -0.36828335 0.3756602 -0.8751502 -0.06782461 -0.78352649 -0.80681377 0.10169419 0.15735757 DG 50:13 -1.0945847 -0.8990923 -0.6389279 -0.6387958 -1.0557911 -0.1082642 -0.9158308 -0.6119367 -0.2951535 -0.5813942 1.3785148 0.3560027 2.4747483 1.2378978 0.2420011 -0.4915744 1.0211712 0.6210098 HexCer 33:1;4O|HexCer 18:0;3O/15:1;(2OH) -1.172565766 -0.225235902 1.380131152 2.274457785 -1.014342398 -0.183791445 -1.678953495 0.905891445 0.745911285 0.193849955 -0.469964885 -0.696303342 1.126454532 0.383868383 -0.932337307 -0.322787216 -0.323711726 0.009428943 HexCer 34:1;2O|HexCer 18:1;2O/16:0 0.055536202 1.705128949 1.814359927 2.450620413 -0.465656736 0.345159684 -0.003891509 -0.369245987 -0.365842032 -0.668847245 -0.006949299 0.041542912 -0.831562425 -0.828487278 -0.49237383 -0.404170856 -0.955343686 -1.019977205 HexCer 38:1;2O|HexCer 18:1;2O/20:0 0.6395647 2.6171705 0.4126282 0.9045737 -0.5716222 1.3738405 -0.2296853 0.2039161 0.6991054 -0.756357 0.2297336 -0.1731616 -0.5794874 -0.8961553 -0.5821473 -0.7822837 -1.0789551 -1.4306778 HexCer 40:1;2O|HexCer 18:1;2O/22:0 0.647877966 1.917741851 0.797611663 1.593392957 -1.335990244 0.948644943 -0.639021955 0.040990863 -0.639750169 0.294437061 0.249404005 -0.552429897 0.812564631 -1.761760751 -0.619327607 -1.067814415 0.007219498 -0.693790399 HexCer 41:1;2O|HexCer 18:1;2O/23:0 1.42727354 1.7946542 0.78952385 1.03149208 -0.31194356 1.38172504 -0.27592043 -0.44248017 -0.18540627 -0.80960424 0.08396865 0.31916006 -1.40986369 -0.833516 0.45234058 -0.16216992 -1.37363359 -1.47560015 HexCer 42:1;2O|HexCer 18:1;2O/24:0 1.1302922 2.09211852 1.34796293 1.74367235 -0.76310395 0.35860647 -0.78088721 -0.27665932 -0.03229293 0.06008478 0.03956838 0.19668914 -0.84844843 -1.19412945 -0.61069223 -0.43971966 -0.63243433 -1.39062726 HexCer 42:2;2O|HexCer 18:1;2O/24:1 0.43932541 1.87261417 1.07869586 1.55682013 -0.73099057 1.1754012 0.35562282 -0.10956165 0.28596049 -0.55057658 0.06763416 0.25353897 -0.53401711 -0.98176524 -0.24804055 -0.64163524 -1.45244456 -1.83658172 HexCer 42:3;2O|HexCer 18:1;2O/24:2 0.08708223 1.79533078 1.77396695 2.03449908 -0.44764259 0.78054194 -0.13123137 0.07422488 -0.12100752 -0.57934147 0.15473453 -0.16454056 -0.57712046 -0.62338334 -0.6338637 -0.75618457 -1.32358242 -1.34248238 HexCer 42:3;3O 0.5874337 2.0686896 0.8703402 1.4451567 -1.3600466 0.7968272 -0.5874067 0.2602753 0.5751603 -0.7752661 -0.659741 -0.4549838 0.8408729 -1.3973376 -0.5466644 -1.2966713 0.235536 -0.6021743 HexCer 43:3;3O 0.8728196 1.4719672 0.4648538 1.1738798 -0.4280892 1.5396857 -0.5039937 -0.4858521 -0.2618267 -0.6847434 0.315535 0.2027904 -1.0946856 -1.0140758 1.5056558 -0.172015 -1.3471643 -1.5547417 LPC 15:0/0:0 -0.05201136 -0.42690198 1.05641723 0.24658478 0.36245898 1.96509385 -1.70128628 -0.3988116 0.42245311 0.65239978 0.0647394 0.02553416 0.32024801 1.42526501 -0.30848377 -0.2879291 -1.74071087 -1.62505936 LPC 16:0/0:0 0.6223865 1.3507224 2.0826807 0.4463125 -0.4740446 1.4014688 -1.6859277 -1.0143218 -0.7873025 -0.3312908 0.1812775 0.147661 0.2671855 0.3002685 0.150688 -0.1251533 -1.2575303 -1.2750805 LPC 16:1/0:0 -0.78523329 -0.32952999 0.14129507 0.36623564 -0.74488687 0.77772228 -1.47926643 -0.07785638 1.11451563 0.24708255 -0.14803253 -0.77376759 2.70234925 1.4016848 -0.59804695 -0.42693603 -0.88499474 -0.50233442 LPC 17:0/0:0 1.1577114 0.74815307 1.62884384 0.59319867 0.06850187 1.65267516 -1.4381789 -0.76530836 -0.53626955 -0.08217278 0.19389075 0.37821573 -0.96714267 0.01873305 0.26668524 0.28856279 -1.6142612 -1.5918381 LPC 17:4 -1.2563849 0.147721 -0.3942959 0.6528866 -1.1032148 0.6806609 -1.1192961 -0.7624233 0.6930864 -0.1055189 1.6154479 0.9584846 0.2861759 1.3295991 0.7214381 0.6471633 -1.5955977 -1.3959322 LPC 18:0/0:0 1.943390383 1.351244864 1.908707406 0.208704351 0.002125563 0.56028003 -0.502899874 -1.140016186 -1.101571958 -1.010324853 0.291289459 0.390155452 -0.699066543 -0.522135387 0.384627359 0.139712207 -1.016020136 -1.188202138 LPC 18:1 -0.363457157 0.375437465 0.5753648 1.025983994 -0.507000708 2.128247158 -1.457120716 -0.630549831 0.550794041 -0.34011296 -0.000716039 -0.496783349 1.643753783 0.785446441 -0.271754625 -0.259894192 -1.6107684 -1.146869704 LPC 18:1/0:0 -0.74569935 0.04145928 0.56238159 1.13921401 -0.49775831 2.13062025 -1.52388024 -0.16803261 0.82592694 0.18039042 0.1706222 -0.38956974 1.1761523 0.80984789 -0.49616739 -0.28276606 -1.72033466 -1.21240654 LPC 18:2/0:0 0.7020519 0.7860751 1.4022066 1.2806322 -0.1608893 1.3071699 -1.5311494 -0.4134303 0.5578367 0.3223496 -0.1027494 0.204582 -0.2354835 0.3755452 -0.4947321 -0.241037 -1.9047758 -1.8542025 LPC 18:3/0:0 -0.01991671 -0.79574759 0.51759993 0.65034267 -0.37661867 0.96496998 -2.13688845 -0.61169745 0.30825938 -0.03367222 0.58549439 0.6576392 0.98932788 2.09946354 -0.35402393 -0.03757188 -1.63972459 -0.76723548 LPC 19:0/0:0 0.75468017 0.12571443 1.88683714 0.1042475 -0.01082199 1.48766578 -1.83204959 -0.55074503 -0.49845958 0.58254457 -0.23921577 0.01443306 -0.75486997 1.4642965 0.13208847 0.01244281 -1.39342115 -1.28536734 LPC 20:0/0:0 -0.188920101 -0.314378187 0.478674701 -0.548503165 -0.752926349 0.006535193 -1.751299812 -0.398865147 -0.675426291 0.032373432 -0.5202178 -0.47657352 2.241826293 1.255620203 -0.675672427 -0.547866926 1.740283824 1.095336079 LPC 20:1/0:0 -0.5228453 -0.47571615 -0.24072047 -1.09091029 -0.34941335 0.94462978 -1.09375471 -0.43931751 -0.09100419 0.37043844 -0.11731671 -0.11319831 2.39268537 2.4881413 -0.36217524 -0.29841889 -0.36023444 -0.64086933 LPC 20:2/0:0 -0.150662821 -0.339619526 0.006588775 -0.72354584 -0.494433793 1.941127289 -1.292439761 -0.705888162 0.313896235 0.005461529 0.548715742 0.430765863 1.927650206 0.828042679 0.262336789 0.538755242 -1.639398334 -1.45735211 LPC 20:3 0.985074484 0.859618022 0.783525922 -0.232384695 -0.105055996 2.6405548 -0.8989226 -1.094870295 -0.006936188 -0.816960102 -0.05746824 -0.267086388 1.091219942 0.193015696 -0.095175429 -0.316019827 -1.401357216 -1.260771891 LPC 20:4 -0.15799258 -0.61861382 -0.40070293 -0.6059392 -0.37207329 2.33186128 -0.76121355 -1.04663267 -0.14438283 -0.83363512 0.73137292 0.62768105 1.29627189 1.48136342 0.72493077 0.09632171 -1.14707901 -1.20153804 LPC 20:4/0:0 -0.3934916 -0.6787457 -0.5764829 -0.8171982 -0.4337318 1.4771644 -0.9458876 -0.8860608 -0.2154848 -0.5488258 0.9663149 1.287707 0.6963452 1.8959432 0.8752116 0.7383285 -1.1095104 -1.3315953 LPC 20:5/0:0 1.13520563 -0.09063027 0.2281228 -0.34265718 -0.08611224 0.20164983 -1.78548796 -1.13958282 -0.91193405 -0.39182215 1.23750469 1.65857472 -0.07491633 0.64104036 0.7633347 1.35443388 -1.31161276 -1.08511088 LPC 22:5/0:0 0.09107972 0.267457024 0.837949165 0.465924985 -1.293815752 0.254257185 -1.853168056 -1.203223425 -0.479591856 -0.881280056 0.277948271 0.449663427 2.538404116 0.003863173 0.37967899 1.047476503 -0.482844105 -0.419779308 LPC 22:6/0:0 -0.31738968 -0.21405158 -0.35512723 -0.69681698 -0.72092648 2.02532929 -1.06034545 -1.05742706 -0.08532162 -0.90903237 0.89486213 0.82432184 1.94875236 1.0799328 0.47543659 0.09674124 -0.91972515 -1.00921265 LPC O-16:0 0.52740862 0.16940068 1.79730155 0.7557949 -0.04237369 1.39439873 -2.09834326 -0.21146021 0.12890956 0.72991847 -0.61995297 -0.13520983 0.6702841 0.77564156 -0.68408181 -0.38074141 -1.5031082 -1.27378677 LPC O-18:1 0.9745932 0.27327381 0.84303961 -0.4835982 0.30258508 2.39091561 -1.53180537 -0.33519735 0.5977288 0.13543942 0.15030295 0.46842682 -0.18194683 0.31250005 -0.47020984 -0.04289862 -1.7334934 -1.66965573 LPE 16:0a -0.12866039 1.40571613 1.71305143 2.46001161 -0.67805337 0.52171544 -1.15228129 -0.73438014 -0.41246171 -0.36087286 -0.01694881 -0.01610222 0.06724196 0.36563091 -0.38398488 -0.3403237 -1.31804305 -0.99125507 LPE 16:0b 0.000338274 1.24348075 1.85821638 2.31347832 -0.800536824 0.472989527 -1.22801419 -0.699943277 -0.525517615 -0.439963803 0.144856867 0.156771276 0.086462086 0.325690242 -0.155144151 -0.29908297 -1.354444124 -1.099636767 LPE 18:0a 0.3503845 1.68130208 1.94384251 2.53280775 -0.40567893 0.07665664 -0.6325707 -0.51095891 -0.44926284 -0.41877198 -0.29699052 -0.20425383 -0.6820155 -0.42592997 -0.36952283 -0.42794225 -0.90332351 -0.85777172 LPE 18:0b 0.4521629 1.7190709 2.0977042 2.3627733 -0.4541472 0.0243226 -0.5600961 -0.5524881 -0.4617448 -0.383092 -0.286925 -0.2582667 -0.7401826 -0.4715042 -0.36436 -0.4287334 -0.853739 -0.8407547 LPE 18:1 -0.2069641 0.6317863 1.4050684 2.4683802 -0.3056251 0.1357161 -1.0049176 0.2289493 0.2007061 1.1310419 -0.5207389 -0.4321506 -0.3222407 0.7095874 -0.8443318 -0.4521992 -1.2834353 -1.5386324 LPE 18:2 -0.15948146 0.78679771 1.21791569 2.77948865 -0.21679576 -0.11656659 -0.87213689 0.06471098 0.70815528 0.50779872 -0.50877193 -0.39361693 -0.89491747 0.73589405 -0.97619993 -0.33448229 -1.28948408 -1.03830775 LPE 20:4 -1.0595948 0.3998919 -0.2895018 0.1995422 -0.7961612 2.1035697 -1.0063141 -0.7513598 0.434108 -0.6071313 1.6636107 0.2510043 0.2683214 0.9324631 0.7303466 0.2826061 -1.7086795 -1.0467213 LPE 22:6a -1.35507271 0.05305705 -0.35210711 0.35036112 -1.30778615 1.95384084 -0.82919081 -0.90093003 1.6206064 -0.56359908 1.51006078 0.16661491 0.80207331 0.64694415 0.15316837 -0.5884383 -1.05350457 -0.30609818 LPE 22:6b -1.55936675 -0.06102151 -0.61396049 0.6036455 -1.59345101 0.31997107 -0.9923471 -0.33737779 1.84510002 0.11064433 1.29588039 0.62295279 1.21594298 0.87526679 0.42380423 -0.07524684 -1.09155116 -0.98888545 LPE O-16:1 -0.2404371 0.1271001 0.4275846 0.833943 -0.5087442 0.6463408 -0.8636032 0.1155225 2.1081898 0.7001562 -0.2675067 -0.2182279 -0.3234969 1.9953307 -1.1061269 -0.7370457 -1.1322461 -1.5567331 LPE O-18:1 0.07906243 0.37244152 1.81860464 2.21583471 -0.27228202 0.58450935 -0.85099694 0.01122296 0.47076075 0.40311835 -0.27405683 0.11902793 -0.74071886 0.72962305 -0.82300138 -0.80337012 -1.50564132 -1.53413819 NAE 5:0 0.06052396 -0.79787686 -1.01409483 -1.33328679 0.10623257 0.28443628 -0.45739116 -0.31934542 -0.3587304 -0.10696682 0.70606483 1.08639057 0.03397447 1.46672264 2.45415904 0.56732582 -1.13226319 -1.24587471 PC 30:0|PC 14:0_16:0 -1.41987617 -0.56457732 0.69837162 2.28214414 -1.61393442 -0.524373 -1.42589632 -0.08588054 1.4681137 -0.10067867 -0.16796339 0.11922616 0.81021481 0.59760494 -0.19814403 -0.65546832 0.22697299 0.55414383 PC 31:0 -0.6420849 0.2658671 1.5639987 2.035348 -0.5074004 0.3036953 -1.4003185 0.8392951 1.1056142 0.9514136 -0.6555134 -0.3838085 -0.7198167 0.7565972 -0.9442466 -0.7214843 -0.9198473 -0.9273085 PC 32:0|PC 16:0_16:0 -0.9044445 -0.7493919 0.2540243 2.7070784 -1.0875991 -0.8080489 -0.9173907 -0.3316483 0.7697895 -0.3903025 -0.1127369 0.2094255 -0.0948187 -0.1638012 -0.6541858 -0.5172226 1.3188399 1.4724334 PC 32:1|PC 16:0_16:1 -1.18935316 -0.53869659 0.33754952 1.68692903 -1.16876087 -0.70675499 -1.00873162 -0.09537292 0.53521006 -0.25501981 -0.39542651 -0.64617243 1.51171285 0.23081566 -0.53602964 -0.62654252 0.59670169 2.26794226 PC 32:2|PC 14:0_18:2 -1.00052042 -0.90472231 0.89577761 2.23085465 -1.14769912 -0.31037937 -1.35327755 0.3535479 1.58253114 0.42921859 -0.39847979 -0.52324692 1.31259852 0.11962306 -0.75251437 -0.75631822 0.1815354 0.04147121 PC 33:2|PC 15:0_18:2 -1.47636217 -0.888673405 1.141112503 1.68937617 -1.420318583 -0.288232028 -1.848986016 0.322091858 0.754690542 1.129638288 0.178451404 0.549553638 0.681009607 0.837832684 -0.659777416 -0.686157297 -0.016083098 0.000833319 PC 33:3 0.4276822 -1.0846828 2.6597121 1.4168442 -0.3130304 0.4963769 -1.7480709 0.6107068 0.1008576 0.2319922 -0.5494783 -0.4772209 -0.5562385 0.7871018 -0.5712034 -0.4755022 -0.8344036 -0.1214427 PC 34:1|PC 16:0_18:1 -1.12963221 -0.1189119 0.77617252 2.86385177 -1.13694479 -0.59208349 -0.78229573 -0.46992851 0.05403488 -0.60990259 0.16836109 -0.31943571 0.50535549 -0.33125171 -0.32601458 -0.66343878 0.43055913 1.68150512 PC 34:2|PC 16:0_18:2 1.0305118 1.2435995 2.3161347 1.7277367 -0.1603791 0.4764736 -1.0260703 0.1283152 -0.1094132 0.2340185 -0.6297749 -0.6435379 -0.5696355 -0.4656928 -0.8472081 -0.5978503 -1.1068993 -1.0003287 PC 34:3|PC 16:1_18:2 -1.006072914 -0.595436001 1.049454614 2.488358746 -0.962407342 -0.52675317 -0.994873436 0.293064219 1.035441974 0.192702557 -0.504549489 -0.719417545 1.727758913 0.002818342 -0.783404054 -0.73247384 0.164841895 -0.12905347 PC 34:4|PC 14:0_20:4 -1.35455097 -1.3686718 0.25313778 0.03338492 -1.03284232 0.67713575 -1.46032781 0.06280792 0.44667905 -0.27587286 0.07465226 0.49075893 2.26193765 1.87855462 -0.03901308 0.03516214 -0.0571895 -0.62574268 PC 35:2|PC 17:0_18:2 -0.327615397 0.691395808 2.597869436 2.357967402 -0.770283551 0.206174792 -1.026614177 -0.216909344 0.009606546 0.140159409 -0.231372671 -0.021896511 -1.026173564 -0.195400969 -0.578677699 -0.563516337 -0.576106926 -0.468606246 PC 35:3|PC 17:1_18:2 -0.7190013 -0.5377565 1.8079006 2.3692492 -0.3807397 0.5839112 -1.3460853 0.8659976 0.8627773 0.5949446 -0.5366651 -0.7335866 0.1068433 0.0152478 -0.5979074 -0.5003036 -0.9219829 -0.9328432 PC 35:4 0.01411821 -0.68520129 2.09910175 1.35991528 -0.70552252 -0.96118147 -1.30985272 0.70862095 1.13052149 1.03742938 -0.7922002 -1.06948262 1.19455497 -0.45055825 -0.51868136 -0.75055016 -0.18108982 -0.11994162 PC 35:4|PC 15:0_20:4 -0.849535 -0.9790471 0.9341685 0.5713105 -0.6146711 1.9354181 -1.634539 -0.304466 0.1232976 -0.1305923 0.5114396 0.6365568 0.7202466 1.4285744 0.4413352 -0.1040791 -1.0575293 -1.6278884 PC 36:1 1.3999791 1.9825536 1.3811971 1.6393557 -0.3558 1.0099172 -0.568413 -0.3569255 -0.5116871 -0.6310278 -0.2060192 -0.4531205 -0.8077548 -0.2395599 -0.316961 -0.5819409 -1.29023 -1.093563 PC 36:1|PC 18:0_18:1 -0.83851795 0.3868254 0.46210442 3.23540297 -1.08684749 -0.53935161 -0.81405444 -0.45987097 -0.24118204 -0.12167476 0.07144672 -0.32644514 -0.26669819 -0.05399207 -0.58284542 -0.67091637 0.49549127 1.35112566 PC 36:3|PC 16:0_20:3 0.4580936 1.076374 2.2582515 1.1282771 -0.5155842 0.8071385 -1.586359 0.3928631 0.3732168 0.2762992 -1.0115909 -0.967654 0.6348937 0.1463069 -1.0167836 -0.9249047 -0.8447815 -0.6840563 PC 36:3|PC 18:1_18:2 0.8601369 0.3289973 1.1304086 0.3782125 0.448767 0.9384059 -1.4366219 1.0599697 0.8239446 1.6296064 -0.9254026 -0.7006827 -0.7519791 0.4168299 -0.9122888 -0.5100699 -1.5999009 -1.178333 PC 36:4|PC 16:0_20:4 -1.438494892 -0.963958498 0.613718332 1.125922498 -1.457571411 -0.574261704 -1.32268054 -0.976522137 0.14399774 -0.555147752 0.539936577 0.745603893 2.116515032 0.848434057 -0.007964783 -0.030176009 0.359938733 0.832710865 PC 36:4|PC 18:2_18:2 0.99916156 0.79984618 2.68305594 1.69292336 -0.38711401 -0.02248838 -1.04270095 0.09042869 -0.03945743 0.39871835 -0.82957728 -0.37278443 -0.72202997 -0.14271711 -0.94981008 -0.71071703 -0.91090474 -0.53383266 PC 36:5|PC 16:0_20:5 -0.3878555 -0.10371145 1.91392517 2.61870949 -0.86341985 -0.94521652 -1.18550031 -0.26323167 -0.62238335 0.07531114 -0.28932728 -0.22811674 -0.1143767 -0.41591684 -0.58834137 -0.47853051 0.66418378 1.2137985 PC 36:5|PC 18:2_18:3 0.5343056 -0.5720406 2.3565675 2.0793907 -0.487069 -0.5315416 -1.2222852 0.6761066 0.7724931 0.545078 -0.9059165 -0.539461 0.2756099 -0.2777366 -0.7630396 -0.7244709 -0.7385252 -0.4774651 PC 36:6|PC 14:0_22:6 -1.23669968 -1.09853792 -0.34565397 -0.77734055 -1.12646971 0.50541088 -1.03904537 -0.39865455 0.09867897 -0.49844445 0.69949721 0.37497987 2.82285685 0.96830492 0.26465566 0.33973223 0.81398663 -0.36725699 PC 37:2|PC 19:0_18:2 -0.53344006 -0.06623016 2.00023048 1.49199927 -0.82115692 -0.50366202 -1.38280798 0.03950282 0.2193997 1.69647103 -0.57523659 -0.34594679 -1.03596006 1.49745791 -0.69880462 -0.51606188 -0.44138108 -0.02437304 PC 37:4|PC 17:0_20:4 -0.67528058 -0.37043314 1.57809249 0.81554295 -0.8043896 1.30048764 -1.37836724 -0.71073255 -0.02142964 -0.33578409 0.82167163 1.25931304 -0.71645444 0.72984723 0.94358179 0.37360556 -1.16819936 -1.64107169 PC 37:5|PC 17:1_20:4 -1.4937751 -1.0957549 0.5875698 0.415046 -0.990599 1.4347001 -1.7657486 -0.4742573 0.1785861 -0.2539179 0.5135336 0.1413138 1.9428319 1.3467631 0.3031134 0.2290953 -0.3740422 -0.6444581 PC 37:6|PC 15:0_22:6 -1.5454632 -1.377084822 -0.102850731 -0.331051605 -1.174496609 0.277666692 -1.582027013 0.071846124 0.970931495 0.046412391 0.428797929 0.42852361 2.259003628 1.342909848 -0.009936756 -0.215134083 0.598174714 -0.086221611 PC 38:2|PC 20:0_18:2 -0.71234683 0.43234636 0.66310987 0.47701504 -1.42079101 -0.29538472 -1.09679565 -0.43604849 -0.30061132 0.05277717 -0.51381268 -0.39690246 1.05178633 0.82941115 -0.98779711 -1.19266718 1.79350118 2.05321036 PC 38:4|PC 18:0_20:4 -0.958307927 -0.70172346 -0.200928337 2.263940438 -1.255670109 -0.503388254 -1.073996301 -0.844588164 -0.150417584 -0.935438516 0.334734617 1.12590215 -0.004111336 0.11401668 0.224759169 -0.12877295 1.955372714 0.738617171 PC 38:4|PC 18:1_20:3 -0.07650387 1.25083278 1.89098233 0.32311513 -0.65356905 1.23136879 -0.96896357 0.46468568 0.98874417 0.86957079 -1.00049992 -1.04566642 0.59132009 0.19463717 -0.80612507 -0.67507777 -1.24163546 -1.33721581 PC 38:5|PC 18:0_20:5 0.9286802 1.7433985 1.1743799 0.4891624 -0.9750092 -0.2407374 -1.1851288 -1.2153425 -1.5964322 -0.9351694 0.5539606 1.250853 -0.9659444 0.8226628 0.4537573 0.4274485 -0.2436888 -0.4868505 PC 38:5|PC 18:1_20:4 -1.5684929 -0.5543058 0.6434547 0.9721791 -1.636333 -0.1797159 -1.5968981 -1.0542707 0.1668734 -0.5507984 0.4054452 0.3878258 2.0715001 0.8859628 0.4620553 0.4075353 0.621976 0.1160071 PC 38:6|PC 16:0_22:6 -1.22454413 -0.5381666 -0.7642701 -0.69166767 -1.29329487 -0.1693855 -1.0027039 -0.80156637 -0.33378116 -0.68329107 0.93463792 0.98361383 2.06283725 0.7382579 0.27248178 -0.00928241 1.66602925 0.85409583 PC 38:6|PC 18:2_20:4 -1.11558442 -1.22384735 0.65980476 1.21230605 -1.34419186 -0.28270784 -1.84002807 -0.72056057 0.06983339 0.27272805 -0.19987507 0.54427911 2.06186871 1.18956136 0.16106289 -0.02715944 0.66729411 -0.08478381 PC 38:7|PC 16:1_22:6 -0.894405944 -0.762610935 -0.564678325 -0.709720898 -0.786947543 0.165946648 -0.793515866 -0.329729142 0.038601677 -0.423627402 0.07576911 -0.220192561 3.430878841 0.891558191 0.003323312 0.01538468 0.775665808 0.088300349 PC 38:7|PC 18:2_20:5 1.20871082 -0.09200285 2.78413958 1.17258347 -0.283362 -0.97392419 -1.70781855 0.08159887 -0.82360892 0.40739575 -0.98479742 -0.38426126 0.18667356 0.31174069 -0.48627663 -0.01228359 -0.06118691 -0.34332043 PC 39:7|PC 17:1_22:6 -1.27640109 -1.22013507 -0.88555498 -0.8806806 -0.87773961 -0.01663955 -1.21975464 -0.41546225 0.04975097 -0.31357872 0.47702072 0.43069383 2.54240245 1.10947919 0.54376101 0.49803942 0.92815369 0.52664525 PC 40:5|PC 18:0_22:5 -1.6392461 0.932725 1.0471834 1.1946971 -1.9302155 -0.2037915 -1.0615323 -1.066512 -0.6564096 -0.8780684 0.3757905 0.3241869 1.2481354 0.6521007 0.5331483 -0.2354451 0.9876157 0.3756377 PC 40:6|PC 18:0_22:6 -1.3082434 0.5466786 -0.2283853 -0.2511578 -1.6522546 0.2174257 -0.3443151 -1.1771645 -0.4671321 -0.9203132 1.8955644 1.4399355 -0.3130665 -0.2620601 1.2653368 -0.3674774 1.1895812 0.7370478 PC 40:6|PC 20:2_20:4 -0.77595505 0.08472523 0.98991947 0.3073819 -1.57074449 -0.46203052 -1.63433082 -0.70496596 -0.28916746 -0.48877134 -0.13151596 -0.38143488 2.34724259 -0.28560388 0.21087493 0.35924669 1.58471514 0.84041444 PC 40:7|PC 18:1_22:6 -1.04786794 -0.66659154 -1.04808363 -1.46113095 -0.91525171 1.17498167 -0.72149054 -0.66250511 -0.05062976 -0.73226836 0.79953739 0.75936647 2.04619263 0.94670436 1.06461175 0.86625135 0.18671948 -0.53854557 PC 40:7|PC 20:3_20:4 0.37625255 0.12863531 0.47094854 -0.55594928 -1.12089063 1.70832576 -1.41648819 -1.02905746 -0.39127788 -1.10518953 -0.19380706 0.03654911 1.9996332 0.3089501 1.31229419 0.64847779 0.01447131 -1.19187785 PC 40:8|PC 18:2_22:6 -0.39457549 -0.80157819 -0.06455065 -1.01745945 -0.94627522 0.64218279 -1.3288302 -0.61909544 -0.16474085 -0.58422364 -0.15448879 0.2694643 2.80669343 0.93876131 1.14076884 0.62211256 0.43378439 -0.7779497 PC 40:9 -0.1460324 -1.1073746 -0.240584 -0.7351061 -1.0990297 -0.1337088 -1.1689174 -0.6304133 -0.645586 -0.6664162 0.174877 0.3296696 2.6394249 0.5514814 1.1023036 1.1583165 1.0657055 -0.44861 PC 42:10|PC 20:4_22:6 -0.70900263 -0.94127665 -0.77122995 -1.01002951 -0.90271928 0.68998617 -0.77852474 -0.88686183 -0.67846174 -0.89594661 0.21046375 0.45492048 2.53334683 1.01119687 0.97708549 0.8762795 0.7968519 0.02392194 PC 42:7|PC 20:1_22:6 -1.19746241 -0.69933947 -0.86225498 -0.73287925 -0.96992036 -0.40113727 -0.36612801 -0.46346684 0.18013419 -0.41392012 0.01790438 0.24935185 1.95290275 0.91654757 -0.38743885 -0.4066855 2.37860531 1.205187 PC 42:8 -1.58189161 -0.86801234 -0.79549075 -0.5189546 -1.26926079 -0.22961238 -0.76018621 -0.68295346 0.08499051 -0.35368382 0.73263078 1.18458863 2.18425259 1.35943774 0.6054149 -0.27637693 0.97823844 0.20686929 PC 42:9 -0.36262603 -0.198451471 0.121368778 -0.508980462 -1.390478622 0.002587768 -1.26149036 -0.656127103 -0.333914419 -0.589075156 -0.191024416 -0.271034177 3.200636165 0.194436907 0.486560298 0.484511612 1.120186974 0.152913712 PC O-32:0 -0.245513161 1.140525187 1.922200233 2.602432866 -0.800938532 -0.300387329 -1.168158471 0.004251382 0.671212765 0.279966295 -0.525541833 -0.198773226 -0.591351341 -0.089166078 -0.76283278 -0.694019767 -0.755331011 -0.488575198 PC O-33:6 1.2936461 0.8030591 2.5070918 1.6955383 0.1368903 0.3945751 -0.9045577 0.0165443 -0.1481081 -0.5512376 -0.9613579 -0.3045538 -0.5154616 -0.079788 -1.0276965 -0.7072846 -0.8124088 -0.8348905 PC O-34:1 -0.1238474 1.32970672 2.05016021 2.3469092 -0.74782962 0.03933943 -1.18841914 0.06414547 0.57978906 0.32811383 -0.43015338 -0.29886129 -0.63077251 -0.26678778 -0.70728682 -0.74723368 -0.85833595 -0.73863635 PC O-36:4 -0.19686285 0.79606858 2.18165607 2.54691788 -0.79000631 -0.08051252 -1.09097673 0.13795823 0.52265963 0.33630741 -0.66311344 -0.21239388 -0.47659691 -0.09777796 -0.79262665 -0.74062395 -0.64338588 -0.73669074 PC O-36:5 -0.3449942 -0.8163169 1.0598777 0.2147891 -0.4166707 1.3329155 -1.9968116 0.369274 0.713681 1.2996058 0.2842264 0.3344808 -0.2454987 1.7552322 -0.8031688 -0.6043676 -0.7970059 -1.3392482 PC O-37:4 1.09229704 0.28539821 1.75446664 1.56319213 0.67105452 1.07664193 -0.67456031 0.79287548 -0.26465091 0.49508444 -0.38923283 -0.60538561 -1.02801083 -0.07728754 -1.19291533 -0.89955362 -1.25545716 -1.34395625 PC O-37:5 1.280348532 0.401055719 2.530264313 1.419310237 -0.000169261 0.380848351 -0.881173549 0.463501676 -0.136626839 0.486028462 -0.646478935 0.052488202 -0.880013439 -1.019737308 -0.737704659 -0.576145814 -1.069413076 -1.066382613 PC O-37:8 2.13439194 -0.42360346 0.5295889 -0.2888482 1.16426081 1.5201854 -0.72051976 0.57597621 0.08385682 -0.37090051 -0.27692429 -0.48152759 -0.73423503 1.03086228 -1.21775522 0.19634968 -1.13155418 -1.58960381 PC O-38:6 -0.83426966 0.09500083 1.38284638 1.052236 -0.82438477 0.38396572 -2.20379291 0.22792476 1.23925429 0.98396619 -0.39837657 0.399692 0.31333914 1.40690362 -0.86530682 -0.90688603 -0.81073479 -0.64137737 PC O-38:7 -1.4297486 -0.8249218 2.0874735 0.6766099 -1.4299857 -0.6703681 -1.3737747 0.3207745 0.8004211 0.2288441 -0.1356395 0.3045167 1.2314732 0.4538521 -0.8907995 -0.7436812 0.4431575 0.9517965 PC O-40:7 -0.66867961 -0.23921105 1.15215836 0.01596159 -0.40842375 0.70582456 -2.16316634 0.03970635 1.99422714 1.13311245 -0.42869678 0.6148613 0.43324678 0.88350418 -1.2581526 -0.71212749 -0.96083866 -0.13330644 PC O-44:4 -0.3645847 -0.4354679 -0.8077361 -0.5355245 -0.166448 2.5016063 0.9775024 -0.8505161 -0.428188 -0.8714407 0.9812703 1.1516853 -0.2672703 0.5333401 0.8588669 0.3105171 -1.2505436 -1.3370686 PE 32:0|PE 16:0_16:0 -0.0126693 0.19625209 0.49728953 1.57012432 -0.6988179 -0.69858731 -0.44752601 0.28047813 3.21669674 -0.29649757 -0.68423599 -0.22602864 -0.73822167 0.00591881 -0.97307125 0.04469411 -0.45159583 -0.58420227 PE 34:0|PE 16:0_18:0 -0.3722215 1.1323394 1.6834364 2.4915969 0.1060141 0.2928118 0.2746775 0.5179676 0.2317281 0.4328202 -0.7564056 -0.896951 -0.7988519 -0.6693061 -0.8043495 -1.0032234 -0.8782144 -0.9838684 PE 34:1|PE 16:0_18:1 -0.53539969 -0.26681465 0.9402267 2.35329395 -0.46154014 -0.2198807 -0.5296331 1.0581519 1.43015758 0.94085798 -0.79898662 -1.10233477 -0.35877513 0.66614969 -1.09321489 -1.10430056 -0.88681774 -0.03113982 PE 34:2|PE 16:0_18:2 0.4145109 0.8373186 2.0434769 2.1254865 1.2163644 0.1184099 -0.3822973 0.1663061 -0.2812153 0.2601878 -1.0183062 -0.9184141 -0.8483587 -0.4360063 -0.8918026 -0.8684881 -0.9901228 -0.5470496 PE 34:3|PE 16:0_18:3 0.5695624 0.6826076 1.3578078 2.7546818 0.5737797 0.7486636 -0.2028894 0.3167905 -0.6095671 0.1069783 -0.9043167 -0.9189964 -0.783748 -0.570884 -1.0917147 -0.9334812 -0.7689072 -0.3263671 PE 34:3|PE 16:1_18:2 -0.71721007 -0.03387812 0.48283651 2.32296237 -0.48493904 -1.10019174 -0.76802177 0.74786503 1.86666601 0.44444835 -1.07227138 -0.9783664 0.88700391 -0.21835286 -1.01645229 -0.71491607 0.0528933 0.29992427 PE 35:2|PE 17:0_18:2 0.28128713 0.82010284 2.18198834 2.19065686 0.6934261 -0.02864471 -0.32776963 0.66490455 -0.30596359 0.21724247 -1.02795488 -0.97998481 -0.93514498 -0.33911465 -0.98465131 -0.56481791 -0.85281062 -0.70275118 PE 36:1|PE 18:0_18:1 0.17246411 0.25654819 1.35351241 2.2476901 0.51701252 0.12013701 -0.05243514 1.02533437 0.46279851 1.03750123 -0.96440125 -0.91077745 -1.22600272 -0.06327653 -1.31961347 -0.98945615 -0.92670376 -0.74033198 PE 36:2|PE 18:0_18:2 0.52542802 1.28276299 1.91201419 1.93203048 0.69610354 -0.08961414 0.07822636 0.8464248 -0.17823803 -0.04269529 -1.09439707 -0.79808878 -1.10229115 -0.44113347 -1.13786537 -0.80390818 -0.80062979 -0.78412911 PE 36:3|PE 16:0_20:3 0.24374806 0.77839137 1.60441737 1.50656541 0.31578917 -0.13608146 -0.7679407 0.96489027 0.44832822 1.59615181 -1.35071192 -0.8363853 -0.9293191 0.04079303 -1.31939213 -0.90711407 -1.0540171 -0.19811293 PE 36:3|PE 18:1_18:2 0.5640901 1.3234749 1.601478 1.3887557 0.6288851 0.1839915 -0.1555053 0.9390056 0.4162698 0.9045667 -1.2731835 -1.2632268 -0.9159952 -0.4191085 -1.0569942 -1.0558567 -0.9658595 -0.8447876 PE 36:4|PE 16:0_20:4 0.15264059 1.68263231 2.64986981 0.80135423 0.13790267 0.37093387 0.04586605 0.23984648 0.07565187 0.28689445 -0.96268291 -0.83635614 -0.11771549 -0.9479515 -1.19595183 -0.70634628 -1.22802555 -0.44856264 PE 36:4|PE 18:2_18:2 1.79464218 1.55530841 1.35801365 0.97590553 1.18757333 0.0181795 0.39378921 0.05418651 -0.11532963 0.00742678 -1.14673822 -0.91334663 -1.0808687 -0.47655483 -1.07308973 -0.54622493 -0.96985089 -1.02302157 PE 36:5|PE 16:0_20:5 0.31188744 1.84295394 1.97547687 2.23296717 -0.25617034 -0.64386388 -0.74150116 0.29853927 -0.47504208 -0.1951223 -1.00681069 -0.86317133 -0.11863814 -0.71570032 -0.68343757 -0.63538351 -0.27625661 -0.05072677 PE 36:5|PE 16:1_20:4 1.601854316 0.984961969 -0.171369183 -0.835059822 -1.000138829 0.736810408 -1.706201416 -0.547443633 -0.007730128 -0.298583837 -0.341864369 0.118889915 1.313927858 1.745322803 0.373004075 0.349811367 -1.310718707 -1.005472787 PE 36:5|PE 18:2_18:3 2.32555762 0.57429217 1.40813746 0.45912504 0.18434874 0.63010878 -1.11485186 0.34694948 0.51923406 -0.30454303 -0.08896813 0.03913826 -0.25990785 -0.89121913 -1.47990986 0.19373227 -0.73031722 -1.81090678 PE 36:6 -0.01622819 -0.26549432 -1.16404442 0.8230599 0.35221265 -1.2107318 -0.12759498 -1.16286371 1.85527766 1.34945253 -0.06732534 -0.31791233 1.82590603 -0.97838717 0.89620687 -1.0515218 -0.58888783 -0.15112374 PE 37:4|PE 17:0_20:4 -0.00102968 1.3679513 1.52257294 1.76897357 0.62033481 1.23810943 -0.63925667 0.70128707 0.21523009 -0.06208608 -1.41314252 -0.70071285 -0.34781635 -0.23350084 -1.13052029 -1.06971645 -1.06032498 -0.7763525 PE 37:6 -1.03781119 -0.67276498 0.88403044 0.5707771 -0.06996569 -0.77075992 0.52376719 0.55915818 2.58077438 0.13870177 -0.65858521 -0.60408986 -1.14189439 1.25614456 -0.72388181 0.8918244 -0.93004013 -0.79538484 PE 38:1|PE 18:0_20:1 -0.1480399 -0.1173293 1.6713684 1.2702397 0.2260913 1.5304277 -0.449329 1.1939144 0.383275 1.1156475 -0.6408076 -1.5778642 -0.8507796 -0.3687812 -0.3580566 -0.9379166 -1.4666649 -0.4753949 PE 38:3|PE 18:0_20:3 0.2727231 1.7169682 1.6896025 1.760813 0.1587558 0.1113643 -0.1190503 0.6717629 0.8515122 0.1288043 -0.8396896 -0.8816132 -1.101991 -0.5326737 -1.0611106 -0.8660302 -0.9904851 -0.9696625 PE 38:4|PE 18:0_20:4 0.54590509 1.56874219 1.91262558 1.93596099 0.07878714 0.59143105 0.23259279 0.30601787 0.19878153 -0.47652186 -0.89651091 -0.89818034 -0.99152456 -0.9035942 -0.68610347 -0.65017372 -0.84483144 -1.02340372 PE 38:4|PE 18:1_20:3 0.00323234 0.25516104 1.90397861 1.48845616 -0.42985155 -0.20176079 -1.05923502 0.70324362 1.69125183 0.65173269 -0.93337356 -1.32491948 0.07755573 0.54953565 -0.89723376 -1.02023807 -0.97819364 -0.4793418 PE 38:5|PE 18:0_20:5 0.94389808 2.29676093 1.74987438 1.74126676 -0.01427963 -0.43112535 -0.4692163 0.37166016 -0.33890345 -0.36676084 -0.89490061 -0.5035053 -0.82691382 -0.55314526 -0.90111139 -0.63998189 -0.62326351 -0.54035296 PE 38:6|PE 16:0_22:6 -0.6946994 1.0155489 1.0917283 2.1497766 -0.5933211 0.7497628 0.8061647 1.0970072 0.2377835 -0.160104 -1.255757 -1.1566086 0.7142838 -0.6831341 -0.7338877 -1.1526471 -0.5761721 -0.8557247 PE 38:7 0.17928489 -0.32373442 -0.62912783 1.82630971 -1.19596781 0.85460829 0.50616697 0.08164636 0.13538262 -0.46278992 -1.31203405 -1.26285322 1.66674503 1.02988427 -1.06741408 -1.21388562 0.55823138 0.62954743 PE 38:7|PE 16:1_22:6 -0.93871671 -0.31763139 -0.33825288 -0.08669297 -0.93711851 -0.22174726 -0.60792358 0.1648247 0.67269475 0.08655792 -0.93651566 -0.63071793 3.37780274 0.2608337 -0.66874754 -0.17054715 0.49003701 0.80186076 PE 39:6|PE 17:0_22:6 0.2870791 -0.9443819 0.1374511 1.9365176 -0.123675 1.1792399 -0.7975307 -0.3136822 1.9953148 1.1559859 -0.1667672 -0.4164932 -0.954628 -0.9386335 -0.7229998 0.6294728 -0.9703133 -0.9719564 PE 39:7 -0.82642778 -0.84066091 0.80410877 -0.85491453 -0.27866232 -0.29680047 -0.03295215 1.78647165 2.67032775 -0.84480303 -0.15097523 -0.84351364 0.48607617 0.10446807 -0.65934342 -0.83942519 -0.29105448 0.90808074 PE 40:4|PE 18:0_22:4 -0.1187419 0.4843041 0.9857172 1.4519776 -0.6695218 2.0922837 -1.3822098 0.4794243 1.231854 -0.0036902 -0.2180613 -0.9458673 -0.5276692 0.6340506 -0.2884481 -0.937704 -1.0086605 -1.2590374 PE 40:5|PE 18:0_22:5 1.02175537 1.08236987 2.35712053 1.42452887 -0.03074924 0.43236633 -0.90037313 0.04057893 -0.0892914 0.48468359 -0.69645134 -0.28206238 -1.04911201 -0.09900548 -0.4842845 -0.43742375 -1.33328256 -1.44136771 PE 40:6|PE 18:0_22:6 0.01198741 1.76226167 1.77668774 2.29377856 -0.18708457 0.32428642 0.39695182 -0.03396583 0.12759496 -0.10603855 -0.88780519 -0.78681923 -0.8081728 -0.70167938 -0.72912051 -1.00223967 -0.7916631 -0.65895976 PE 40:7|PE 18:1_22:6 -0.36950417 0.90196976 1.46531347 0.938507 -0.32479637 1.26999776 0.38661452 1.39817045 1.00844924 0.02464778 -1.5497662 -1.30454465 0.00147835 -0.30248528 -0.48656557 -1.21114336 -0.38537684 -1.46096589 PE 40:8|PE 18:2_22:6 -0.38748688 -0.2918154 0.03391405 -0.34827197 -0.18017687 0.01203449 -0.37495226 0.58251621 3.03492425 0.35649732 -0.70884878 -0.09597807 -0.50466196 1.89325476 -0.65653877 -0.77674078 -0.52329468 -1.06437465 PE 40:9 0.2289288 -1.0107461 -0.1918404 -0.6589102 -1.0173072 -0.1014522 -0.547588 0.184652 3.2092426 0.4571588 -0.5291545 0.2066576 -0.2898796 0.9749479 -0.8535599 -1.0096748 0.5533444 0.3951809 PE 42:10 -0.74165139 -0.52143436 -0.62318167 -0.51884606 -0.53148131 0.08822967 -0.32862282 0.33522878 2.68344691 0.63972503 -0.53180248 -0.08632652 -0.0176789 2.40996732 -0.67015966 -0.48219729 -0.47728421 -0.62593104 PE O-38:4 1.3033913 0.35190025 1.70025101 1.23727437 0.90652172 1.1033402 -0.72563102 0.67957104 0.08547585 0.45704219 -0.63956745 -0.28895637 -0.78529762 -0.49118992 -1.22639595 -0.88281413 -1.38360464 -1.40131083 PE O-39:4 -1.19890378 -0.56588695 1.81982543 2.41682651 -1.26211412 -0.33078834 -1.11610832 -0.14603215 0.81679071 0.21334426 0.02971656 1.14490886 -0.34622321 -0.15748684 -0.72754595 -0.57145888 0.20863857 -0.22750235 PE P-34:1|PE P-16:0_18:1 0.80063269 0.31897902 0.65529058 1.08808717 0.72174607 1.99295036 -1.40149737 0.7300149 0.55427546 0.05356436 -0.62194464 -0.9441839 -0.10184184 0.79950552 -1.11242563 -1.28556758 -1.11873487 -1.12885028 PE P-34:2|PE P-16:0_18:2 0.81171512 0.02105483 2.11319626 1.81004144 0.05728524 0.72159199 -1.22132528 0.2494243 -0.34184775 0.73930251 -0.65558335 -0.93736508 -0.06820626 0.69646638 -1.14381861 -1.06094222 -0.99959259 -0.79139692 PE P-36:1|PE P-18:0_18:1 0.64958983 0.7602737 1.43721337 1.47430124 0.33690822 1.22753596 -1.2116872 0.75475252 0.64701307 0.2823833 -0.14325772 -0.28444249 -0.82039986 0.03172144 -1.22507796 -0.92778273 -1.4905216 -1.49852309 PE P-36:2|PE P-18:0_18:2 1.08009151 0.97166018 1.90790472 1.53898613 0.10640616 0.99027677 -1.27546942 0.55327319 0.02405776 -0.32485574 -0.02530049 -0.48917521 -0.40529458 -0.19523408 -1.33703095 -0.54075917 -1.30194367 -1.2775931 PE P-36:4|PE P-16:0_20:4 0.59267226 -0.54447999 0.75579668 0.09626106 0.49534939 1.7834692 -1.37261634 0.15810226 0.3568009 0.83663486 0.07361197 0.1754625 -0.36683998 1.79221477 -1.26376895 -0.77056634 -1.15315898 -1.64494527 PE P-38:4|PE P-16:0_22:4 0.87910119 -0.73199298 0.85157984 -0.02957582 -0.19561838 2.0303712 -0.45185203 0.88996484 1.47722899 0.16422077 -0.27065939 0.23385145 -1.25526776 0.75305428 -1.13751749 -0.89425175 -0.62681824 -1.68581873 PE P-38:4|PE P-18:0_20:4 0.99708892 -0.26562033 0.74084516 0.11071598 0.46031398 1.6432745 -1.29442253 0.25766147 0.05346033 0.80069015 0.31150573 0.73828246 -0.92282866 1.29219403 -0.96432576 -0.65323116 -1.43785057 -1.86775366 PE P-38:6|PE P-16:0_22:6 2.00221462 0.71318731 0.20926589 -0.15399362 0.83326817 2.60529014 -0.81668414 -0.08215862 0.01133216 -0.52350222 -0.70804697 -0.42323535 -0.14578815 -0.09620228 -0.8176737 -0.43416125 -0.91929301 -1.25381897 PE P-40:4|PE P-18:0_22:4 0.94931108 -0.05479319 2.21744642 1.0665336 -0.06639456 0.88547998 -0.93397785 0.88988867 0.31727847 0.56922285 -0.38740197 0.2280122 -1.04507494 0.16681365 -1.43737572 -1.09191225 -1.14250779 -1.13054865 PE P-40:4|PE P-20:0_20:4 0.704526 -0.1724571 1.8405237 0.847154 0.4288372 1.46316 -1.0689311 0.8620132 0.5459281 0.2416773 -0.2035261 -0.1987697 -1.3307442 0.4184917 -0.8557015 -0.4083849 -1.4385258 -1.6752708 PE P-40:5|PE P-18:0_22:5 1.54814838 0.84832765 1.93898042 1.03587791 0.43985571 1.22832489 -1.01324648 0.388659 -0.316789 -0.08202136 -0.42372931 0.05627073 -0.85959726 -0.32226468 -1.14421296 -1.0620503 -0.97832584 -1.2822075 PE P-40:6|PE P-18:0_22:6 0.70665959 1.52113218 1.59629927 0.28916222 0.34203656 2.09822362 -0.79738825 0.38642 -0.31948799 -0.49145129 0.03235285 0.04000809 -0.86846637 -0.7375278 -0.57881207 -0.33900223 -1.50448289 -1.3756755 PE P-40:6|PE P-20:2_20:4 -0.663535 0.2016764 0.2613372 0.8348036 0.8024586 1.4440066 -1.4270955 0.5932214 1.5524805 0.4841354 0.1636375 0.4900291 -0.8150501 0.1352796 -1.0882527 -1.1580864 0.2937991 -2.1048453 PE P-40:7|PE P-18:1_22:6 0.62422641 1.01643985 1.75620014 -0.06937942 1.10457127 1.7706657 -1.11460543 0.88278003 0.10186524 -0.13386062 -1.04588358 -0.03317967 -0.15324368 -0.68945736 -0.93775067 -0.5737861 -0.98688097 -1.51872116 PE P-40:8|PE P-18:2_22:6 0.73485955 1.63899476 0.80726449 0.19504539 0.4703603 2.7472644 -0.67786515 -0.10087838 -0.71760354 -0.60496197 -0.41279337 -0.30742464 -0.38608476 -0.07356171 -0.18655177 -0.77727168 -0.90245714 -1.44633477 PE P-42:5|PE P-22:1_20:4 0.74610351 1.64464237 1.67661542 1.35940706 0.36540905 1.05493839 -0.59499432 0.43358876 0.20473598 -0.04897907 -0.2418446 -0.39072082 -1.02242891 -0.42564315 -0.98909338 -1.02540639 -1.30956601 -1.43676392 PE P-42:6|PE P-20:0_22:6 0.55134107 1.16429818 1.17558507 0.33758811 0.07231943 1.98219256 -0.77537857 0.5698706 0.98516466 0.13587633 0.21135802 -0.27973734 -0.86293604 -0.10500433 -1.02517066 -0.9177023 -1.46789857 -1.7517662 PI 34:2 -0.14222892 0.424430543 2.240253644 2.338215251 -0.50616496 -0.482499443 -1.426797095 -0.218778094 -0.274011871 -0.008250556 -0.859913648 -0.533104492 -0.166949856 0.121065397 -1.044440398 -0.650558556 0.160197621 1.029535435 PI 36:2 1.50332243 0.66075132 1.74972911 0.33680865 0.49261834 0.36704923 -1.84580953 0.01774125 -0.28487772 0.89722375 -0.72648608 -0.39423728 -1.04823089 1.12572298 -1.19255713 -0.0834265 -1.39524694 -0.180095 PI 36:4 -0.604687938 1.252815742 1.86539349 1.608580538 -1.700042357 -0.307424505 -1.569755499 -0.992891309 -0.702961975 -0.638330745 -0.334347972 -0.009269188 0.571590854 1.024259066 -0.097918705 0.130854957 0.152430041 0.351705508 PI 38:3 0.11486976 1.8158786 1.85003548 2.40023427 -0.63448087 -0.02271806 -1.18166876 -0.31967853 0.21215696 -0.29782447 -0.64443515 -0.73527875 0.01457375 -0.12355949 -0.59632694 -0.60449243 -0.62667339 -0.62061198 PI 38:4 0.03264815 1.77638022 1.00229543 2.84940776 -0.8691279 -0.48877504 -1.26336716 -0.77457619 -0.44731826 -0.51357797 -0.69992902 -0.34110244 0.2627263 -0.1003575 -0.28390581 -0.47435397 0.26418246 0.06875096 PI 38:5 0.67768143 2.645129 0.77564612 1.3486489 -1.31923339 -0.61406538 -1.58186091 -0.74741015 -0.32551086 -0.42276334 0.0797875 -0.66461371 0.02027626 0.79370428 0.04239256 0.20993417 -0.21901241 -0.69873007 SM 33:1;2O|SM 17:1;2O/16:0 0.86323768 1.93191769 1.68074896 1.88437387 -0.21232435 0.43306665 -1.02724549 -0.56470035 -0.40493644 -0.34821608 -0.38213158 0.01345533 -1.04714402 -0.73322653 0.15494224 -0.02877467 -1.08646158 -1.12658133 SM 34:0;2O -0.457185134 1.34233458 2.300557866 2.082605477 -1.106377753 0.24001264 -1.026602006 -0.091437828 0.403357352 -0.005750306 -0.468249343 0.382755392 -0.620239519 -0.488211472 -0.785129572 -0.693579645 -0.863205496 -0.145655234 SM 34:1;2O|SM 18:1;2O/16:0 0.56411347 2.49148799 1.43790342 1.83190766 -0.7355845 0.26985297 -0.90997242 -0.48925904 -0.16253943 -0.32687626 -0.11619777 0.05484586 -0.77691073 -0.57619728 -0.11259979 -0.38951816 -0.95898688 -1.0954691 SM 34:2;2O|SM 18:2;2O/16:0 0.44738689 1.06988396 2.25368972 2.1948037 -0.70849604 0.37326787 -1.41870379 -0.08545978 0.21913909 0.01859617 -0.52112968 -0.37560221 -0.02238023 -1.00717865 -0.44168994 -0.46221931 -0.63188081 -0.90202694 SM 36:1;2O|SM 18:1;2O/18:0 0.855062 2.8480054 0.9655557 1.5018735 -0.4523295 0.7242876 -0.7384077 -0.5134064 -0.2327495 -0.3961496 -0.3069985 -0.1081886 -0.8200506 -0.6375885 -0.3533845 -0.5318219 -0.876111 -0.9275982 SM 36:2;2O 0.5250334 2.5759779 1.5157534 1.5198128 -0.4619224 0.8048628 -0.9629532 -0.4691511 -0.0268426 -0.4982975 -0.2902609 -0.1172667 -0.6933085 -0.8136075 -0.3783049 -0.4041093 -0.8397953 -0.9856205 SM 38:2;2O -0.7350394 1.8286274 1.9852372 1.7756664 -0.8752599 0.4355382 -1.0683196 -0.2130591 0.1585823 1.0245926 -0.7280713 -0.2524415 -0.3382634 -0.9467405 -0.8382203 -0.4187028 -0.4539428 -0.3401835 SM 40:1;2O|SM 18:1;2O/22:0 1.1204037 0.1023179 0.3825216 3.6721786 -0.3097879 -0.3307159 -0.4256907 -0.4204492 -0.1449622 -0.2926693 -0.4702907 -0.4437452 -0.4664394 -0.4405689 -0.4176505 -0.4701021 -0.3113152 -0.3330347 SM 42:1;2O|SM 18:1;2O/24:0 1.9925174 2.1025252 2.0594802 0.8089493 -0.4831731 -0.3097518 -0.713238 -0.3168326 -0.3129661 -0.4946399 -0.4730255 -0.5974561 -0.5619098 -0.7270312 -0.3890202 -0.4597551 -0.484508 -0.6401648 SM 42:3;2O|SM 18:1;2O/24:2 0.36661523 1.54361688 1.80366174 2.45872413 -0.85135116 0.02809483 -1.16175751 -0.32656566 0.32677368 -0.15405509 -0.23449388 0.0242713 -0.40401351 -0.79380491 -0.33421185 -0.45605341 -0.82066701 -1.01478382 SM 43:7;2O -0.17595652 -0.25280906 -0.87097379 -0.31478153 -0.05289364 1.19256553 1.17686891 -0.99081276 -0.69083324 -0.84413754 1.17423756 1.63697584 -0.61769437 -0.58062607 1.63101833 0.92066054 -1.02694698 -1.31386122 ST 27:1;O 0.4385378 1.8268646 1.9663574 2.2482372 -0.7388934 0.4241136 -0.7311822 -0.5248402 -0.4527959 -0.5584566 -0.2087401 -0.3223739 -0.4960338 -0.5124887 -0.1116494 -0.437949 -0.8962119 -0.9124953 TG 42:2|TG 8:0_16:0_18:2 -0.89192065 -0.02737188 -0.17232563 -0.92567595 0.64241243 1.0239888 2.07528567 1.23395994 0.30967156 -0.65384508 -0.17872641 -0.39853509 -0.91873005 -0.90320733 -0.69393448 -0.90732189 -0.60815969 1.99443572 TG 44:1|TG 10:0_16:0_18:1 -0.5641367 -0.3920581 -1.0583499 -1.0040895 0.9974002 -0.1582189 2.066955 0.2041182 0.1902918 -0.4192431 -0.6731264 -1.0459832 -0.4387177 0.5960559 -0.9373672 -0.3299065 0.654988 2.3113883 TG 44:2|TG 10:0_16:0_18:2 -0.3166185 -0.7271738 -0.8034961 -0.9004778 1.0502259 -0.6730604 0.7610544 0.9157636 -0.5032848 0.1832289 -0.5216106 -0.4127249 -0.6445143 -0.8655517 -0.7527538 0.460177 0.8184997 2.9323172 TG 46:1|TG 14:0_16:0_16:1 -0.643022033 -0.717398568 -0.817773144 -0.931006824 0.238528126 -0.501710507 -0.005856825 -0.085057655 0.350924084 -0.245622249 -0.175952375 -0.537294417 -0.369620817 0.402722578 -0.590033149 0.214479023 0.92543438 3.488260371 TG 46:2|TG 12:0_16:0_18:2 -0.67556066 -0.95934506 -1.23388919 -1.33508722 0.95810784 -0.76777925 0.44356023 0.60394489 -0.19961853 -0.05882559 -0.03030839 -0.12823368 -0.52031995 0.15031501 -0.47218614 0.31525304 0.97287166 2.937101 TG 47:1|TG 15:0_16:0_16:1 -0.62853727 -0.76615312 -1.27713926 -1.55200591 1.20340679 -0.07407559 0.09772631 0.04186462 -0.75460897 0.47280849 0.16193207 -0.1168469 -0.60969977 0.0438484 -0.13560785 0.53251271 0.3845333 2.97604196 TG 48:0|TG 16:0_16:0_16:0 0.13305963 -0.62903062 -0.98844838 -1.43170342 2.63891944 -0.44021129 1.58139181 0.62206231 -0.41299541 0.330058 -0.4525483 -0.10325824 -1.15584233 -0.06145057 -0.73644336 0.64107123 -0.32321472 0.78858423 TG 48:1|TG 14:0_16:0_18:1 -0.64436396 -0.74538559 -0.83838617 -0.98779953 0.53409028 -0.56533259 0.51160672 -0.11816461 -0.120365 -0.32103233 -0.20459518 -0.34513375 -0.19142609 -0.05576288 -0.45466713 0.15682085 0.91338566 3.47651128 TG 48:2|TG 14:0_16:0_18:2 -0.7459737 -1.2081566 -1.114323 -1.3879282 1.5599879 -0.7054016 0.8825405 0.2913525 -0.4100025 -0.3618225 -0.2772645 -0.1801193 -0.1106962 0.2397277 -0.5150932 0.7335168 0.8602952 2.4493607 TG 48:3|TG 14:0_16:1_18:2 -0.72306223 -0.75108258 -0.77263786 -0.83545472 -0.01844694 -0.59592876 0.12168295 -0.17329288 -0.3004609 -0.42063078 -0.09899962 -0.35631192 0.29810196 -0.16067076 -0.27948169 -0.02581848 1.97457584 3.11791937 TG 48:4|TG 12:0_18:2_18:2 -0.60493981 -0.96363451 -1.07487426 -1.14749299 0.82331172 -0.76486003 0.39135046 0.48247817 -0.55460127 -0.20068341 -0.11059797 -0.06333165 -0.25395385 -0.08780827 -0.63728885 0.37362195 1.50673453 2.88657005 TG 49:1|TG 15:0_16:0_18:1 -0.84598693 -0.97990836 -1.13992566 -1.45236821 1.41556605 -0.64229451 1.2294091 -0.20848711 -0.8819494 0.5346598 0.23982334 0.06094537 -0.70913372 -0.05379807 0.02831051 0.66999955 0.33724949 2.39788872 TG 49:2|TG 15:0_16:0_18:2 -0.90983999 -1.14755951 -1.19556026 -1.53273964 1.87040014 -0.8261166 1.18567489 0.01500081 -0.96172971 0.73223463 0.28036974 0.07641539 -0.59739489 0.23666852 -0.18529263 0.61219187 0.74507725 1.6022 TG 49:3|TG 15:0_16:1_18:2 -0.97146785 -1.03217901 -0.95668029 -0.98173735 0.52970453 -0.85013976 0.07329396 -0.18715032 -0.58895716 0.23669746 -0.05189134 -0.38656674 0.28326356 0.51862887 -0.28973628 0.07509873 1.74820171 2.83161729 TG 50:0|TG 16:0_16:0_18:0 0.29957485 -0.25768969 -0.80648498 -1.20410938 2.2568295 -0.24002919 2.27343814 0.23610479 -0.66083302 0.6333608 0.16562056 0.10860216 -0.98953812 -0.71950573 -0.09347915 0.68528013 -1.05906791 -0.62807376 TG 50:1|TG 16:0_16:0_18:1 -0.47267342 -0.65487838 -1.54967675 -2.08518104 1.49072006 -0.4447654 1.11432744 -0.23040586 -0.55375122 -0.16039133 0.28452678 0.07916925 -0.34057888 0.42621532 -0.16311721 0.82235474 0.35561102 2.08249486 TG 50:2|TG 16:0_16:1_18:1 -0.633930454 -0.972182878 -1.133962759 -1.448773437 1.595650988 -0.708663045 1.617197027 0.128931987 -0.681756501 -0.364614622 -0.005196371 -0.060820402 -0.532785003 0.002125609 -0.379955323 0.380181765 1.213064914 1.985488503 TG 50:3|TG 16:0_16:1_18:2 -0.74300021 -0.78292264 -0.885168 -0.98982416 -0.19765906 -0.60392873 0.24225178 -0.43565374 -0.36146039 -0.52425222 0.04632762 -0.32092078 0.84667615 -0.11784476 -0.08265952 0.05237444 1.99870158 2.85896265 TG 50:4|TG 16:0_16:1_18:3 -0.72622296 -1.09386826 -1.00867687 -1.19640971 0.71856217 -0.76484046 0.65758604 0.02758781 -0.58290588 -0.57964925 -0.27674685 -0.21879504 0.49329374 -0.24752784 -0.15950309 0.53570692 1.9914132 2.43099634 TG 50:4|TG 16:0_18:1_16:3 -0.74178755 -0.85416895 -0.86537625 -0.9944935 0.29815496 -0.5703228 0.63466913 -0.23629957 -0.79340623 -0.47533254 0.20897557 -0.14286187 -0.10765176 0.03951117 -0.17555423 0.15643077 1.45783589 3.16167775 TG 50:4|TG 16:1_16:1_18:2 -1.03642417 -1.01177397 -1.260373587 -1.366490196 0.623179934 -0.818598387 -0.066300622 0.054148995 -0.415097478 -0.461596068 -0.012282997 -0.119810612 0.976597022 0.02010754 0.003426669 0.833253166 1.80727101 2.25076375 TG 50:5|TG 14:0_18:2_18:3 -0.585165764 -1.064580103 -0.896330911 -1.094161593 1.157717254 -0.820764498 0.692061209 0.149190399 -0.672007334 -0.527976929 -0.406574119 -0.230634251 -0.008713956 -0.131447848 -0.461107327 0.630687695 1.737247539 2.532560535 TG 51:1|TG 16:0_17:0_18:1 -0.3585709 -0.8769649 -1.3111819 -1.5798564 1.5229586 -0.5907844 2.2906656 -0.2254589 -0.9679306 0.6207963 0.4633639 0.1439866 -0.8102817 -0.1055375 0.3097881 0.4604611 -0.1533131 1.16786 TG 51:2|TG 16:0_17:0_18:2 -0.75828445 -0.95256289 -1.07256827 -1.3170254 0.54581049 -0.60673995 1.48445301 -0.43677607 -0.82910595 -0.08498478 0.1675243 -0.13832857 0.07184932 -0.06965146 -0.07772844 0.33467437 0.94489009 2.79455465 TG 51:3|TG 15:0_18:1_18:2 -1.00414817 -1.19306326 -1.23842772 -1.44644982 0.53136375 -0.71807664 1.0805841 -0.38883267 -0.78472934 -0.11383268 0.35482066 0.01462147 0.41109361 -0.09791836 0.22449659 0.55650182 1.54108452 2.27091213 TG 51:4|TG 15:0_18:2_18:2 -0.98329785 -1.4178628 -1.28934947 -1.57688837 1.43008438 -0.88348919 0.94057495 0.08571646 -0.91386932 0.10180761 0.15177774 0.13995254 0.14815407 0.16021262 0.19198534 0.63500543 1.40082079 1.67866507 TG 51:4|TG 18:0_15:2_18:2 -0.8622585 -1.7180484 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0.47072497 -0.83827653 -1.14769316 -0.55696187 1.00442571 0.78728141 1.2654083 0.80183097 1.09970899 1.11985339 0.36233686 0.51778044 TG 52:2|TG 16:0_18:1_18:1 -0.715423905 -0.731533973 -1.104198433 -1.282848334 -0.069784263 -0.50533611 2.181721609 -0.646457326 -0.840309451 -0.619653641 0.335048242 0.006576781 0.504757514 -0.133466055 0.050940011 0.200095115 1.208288906 2.161583316 TG 52:3|TG 16:0_18:1_18:2 -0.7958574 -1.0524445 -1.4231729 -1.8015931 0.321703 -0.5805411 1.3525822 -0.5732088 -0.8392777 -0.7335741 0.9063016 0.5573764 1.0685808 -0.2065595 0.8153849 0.6364617 1.1289955 1.2188428 TG 52:4|TG 16:0_18:1_18:3 -0.7758361 -1.1259622 -1.3585441 -1.5429161 0.5509445 -0.3856029 1.4658776 -0.3376793 -1.0512219 -0.3373948 0.5823276 0.2558687 -0.1738631 0.1418572 0.2282618 0.761783 0.819188 2.282912 TG 52:4|TG 16:1_18:1_18:2 -0.8046727 -1.2956248 -1.3427691 -1.7623512 0.7550121 -0.7404001 1.0362896 -0.2142705 -0.8110155 -0.6645111 0.5696222 0.5866438 0.8551318 -0.4330836 1.0472674 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1.667133287 1.968968033 TG 54:1|TG 16:0_20:0_18:1 0.35208067 -0.06990254 -0.68305331 -0.79670845 1.98254712 -0.44153092 2.47909396 0.24063498 -0.321526 -0.21422414 -0.66892782 -0.76558943 -0.8731076 -0.91532541 -0.44505331 -0.40553562 0.03150987 1.51461794 TG 54:2|TG 16:0_18:1_20:1 0.26473413 -0.24584748 -0.90516334 -1.1483608 1.06493982 -0.12986768 3.3831365 0.07585109 -0.24202851 0.62082789 -0.4154222 -0.22987121 -0.63227019 -0.76509214 -0.45838876 -0.16608667 -0.37782309 0.30673264 TG 54:2|TG 18:0_18:1_18:1 -0.43018281 -0.75545985 -1.57294929 -1.63650921 1.09926354 -0.4602409 2.90143664 -0.14913172 -0.42507578 0.31371488 0.05222183 -0.27022075 0.25625125 0.3659789 -0.32690219 0.03398127 0.32190497 0.68191922 TG 54:3|TG 18:0_18:1_18:2 -0.701060902 -0.741401008 -1.567069401 -1.664070759 1.003371967 -0.389109794 2.902841479 -0.122580819 -0.408338814 0.331960601 -0.003332959 -0.199802082 0.286044172 0.47154937 -0.264989807 0.16415103 0.382171411 0.519666315 TG 54:4|TG 18:1_18:1_18:2 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0.73981422 0.81185994 0.96253145 1.90842238 TG 55:6|TG 18:2_18:2_19:2 -0.62714276 -1.5691974 -1.54160949 -1.73179053 1.25428379 -0.61343393 1.63064775 -0.08241954 -0.5716911 -0.44444164 0.3785029 0.04121813 0.26114079 0.28779291 0.54479058 0.46067461 0.90979209 1.41288284 TG 55:7|TG 15:0_18:2_22:5 -0.8519735 -1.2926247 -1.4362605 -1.6866466 0.347964 -0.4188047 1.5312572 -0.7001343 -1.1105809 -0.3285999 0.5578671 0.7467515 0.474131 0.2646813 0.6010127 1.1635073 1.2390717 0.8993812 TG 55:7|TG 16:0_18:2_21:5 -0.3473941 -1.0198594 -0.9649801 -1.3278552 -0.4918904 -0.6513479 0.9405556 -0.7636617 -1.0490143 -0.8704572 0.4226987 0.777771 0.7049001 -0.5771328 1.2575617 0.6467955 1.8151948 1.4981157 TG 55:8|TG 15:0_18:2_22:6 -0.95260872 -1.35869075 -1.28827195 -1.45354859 -0.12802994 -0.53194186 0.86845224 -0.78829989 -0.9552195 -0.37867512 0.79758367 1.21533576 0.82599348 0.29932692 1.44251407 0.87487093 1.4151741 0.09603514 TG 56:10|TG 18:2_18:3_20:5 0.488906859 -0.686519223 -0.834024023 -0.837368186 0.472583548 -1.157815808 0.423942166 -0.392855971 -1.143887473 -1.216706595 -0.044264611 0.006335335 -0.126618886 -0.711204422 1.019829397 0.702756277 2.017641785 2.019269831 TG 56:2|TG 16:0_18:1_22:1 -0.4935633 -0.9240836 -1.0745188 -1.1287133 0.9940562 -0.7768672 2.0274052 0.4203007 -0.162099 1.3736122 -0.7137846 -0.9177013 -0.1183118 -0.1950161 -0.4962059 -0.3718639 0.720165 1.8371894 TG 56:3|TG 16:0_22:1_18:2 -0.8043813 -1.0413157 -1.1638562 -1.3404251 0.7469741 -0.5349877 2.4715713 0.0561999 -0.2617639 0.8728957 -0.5201942 -0.6560914 0.7211456 0.7341569 -0.5930231 -0.5637582 0.6738754 1.202978 TG 56:3|TG 18:0_20:1_18:2 -0.709718773 -1.052103111 -1.242037223 -1.29899104 0.86953682 -0.583265679 2.46594431 0.008184374 -0.29322166 0.92535253 -0.411048085 -0.609119973 0.303765147 0.237064637 -0.443565241 -0.49295407 0.842088366 1.484088673 TG 56:4|TG 18:1_20:1_18:2 -0.678037476 -1.163091587 -1.252610665 -1.382545817 1.308002781 -0.623200812 2.60267031 0.133021997 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0.09703649 1.00021812 0.85650298 0.91509294 0.26613803 TG 56:7|TG 16:0_18:2_22:5 -0.4404007 -1.1072688 -1.158882 -1.4912674 -0.5906058 -0.2817842 1.0898971 -1.0033915 -0.9166876 -0.8701832 0.7969478 0.3673097 0.7095384 0.1412989 1.2980146 0.4242049 1.6472398 1.3860199 TG 56:8|TG 16:0_18:2_22:6 -0.67402098 -0.9762681 -1.03125184 -1.42265599 -0.62334482 -0.40773814 1.04581431 -0.88848062 -0.95037589 -0.86381812 0.97382893 1.20004336 1.07576464 -0.0230268 1.66531571 0.62909029 1.30439661 -0.03327255 TG 56:8|TG 16:0_18:3_22:5 1.3006482 0.2302856 -0.8862806 -1.1987691 -0.1038276 -0.7050212 0.3960805 -0.8986304 -1.3481798 -1.3973551 0.9838521 0.2722196 0.396713 -1.0097678 2.011681 1.0494354 0.530258 0.3766583 TG 56:8|TG 18:1_18:2_20:5 1.86881649 0.6919037 -0.71218711 -0.99835688 -0.29633589 -0.38282422 0.08779483 -0.71096439 -1.03889698 -1.39769942 1.0538457 0.27568586 0.35443003 -0.87168804 1.92129774 1.17471648 -0.30812293 -0.71141499 TG 56:9|TG 16:1_18:2_22:6 -0.7215422 -0.9001929 -1.1308569 -1.182287 -0.7785648 -0.5526259 0.4627269 -0.7585121 -0.6100685 -0.7628198 0.4113289 0.2678306 1.9585345 0.1521284 0.7674232 0.682595 2.2281464 0.4667559 TG 56:9|TG 18:2_18:3_20:4 1.0923642 -0.2053255 -0.474869 -0.6225463 0.6117474 -1.4146153 0.4879012 -0.48864 -1.3893976 -1.6511503 0.4379477 0.1820097 -0.204143 -1.1600422 1.5993844 0.9101133 1.0359736 1.2532877 TG 57:7|TG 17:0_18:1_22:6 0.3703916 -1.1661367 -1.0058675 -1.5313845 0.8316151 0.1000375 2.2979691 -0.2311391 -0.7210755 0.4485969 0.7693855 0.9801291 -0.8186262 -0.3518637 0.7903501 0.9635567 -0.8688553 -0.8570831 TG 57:8|TG 17:0_18:2_22:6 0.3359495 -1.2760542 -1.1273964 -1.6325871 0.4200227 -0.0528828 1.571886 -0.5229825 -0.8841485 0.1262672 0.8456028 1.4096883 -0.6524659 0.3563087 1.1668277 1.2935828 -0.2630429 -1.1145755 TG 57:8|TG 18:1_18:2_21:5 1.0498546 -1.09273837 -1.27636997 -1.97001638 0.43203296 -0.34165309 0.81412581 -0.56072076 -0.6190261 -0.08982595 1.09368073 1.30418453 0.66606759 -0.76652329 1.41861005 0.87959622 -0.04378571 -0.89749285 TG 57:9|TG 17:1_18:2_22:6 -0.5999406 -1.3182097 -1.4325626 -1.5355341 -0.3953241 -0.4095614 0.5375981 -0.6012826 -0.5646986 -0.4919047 0.7471737 0.9994159 1.0658629 0.5447555 1.6646922 1.4400179 0.9031102 -0.553608 TG 57:9|TG 18:1_18:3_21:5 0.4625116 -1.6817172 -0.948201 -1.6048194 1.5522894 -1.5124027 1.1323776 0.3823205 -0.4690076 -0.4286309 -0.2882698 0.7564053 0.211829 -0.743184 0.6165105 0.6300386 0.7948267 1.1371233 TG 58:10|TG 16:0_20:4_22:6 -0.7526374 -1.0826678 -1.0370571 -1.0256161 -0.7973213 -0.123117 1.3304284 -0.8352003 -0.9924108 -0.8768501 0.8631604 1.5295897 0.1835947 0.8778527 1.4752868 1.3848542 0.3071748 -0.4290638 TG 58:10|TG 18:2_18:2_22:6 -0.024524088 -1.431281759 -1.245921876 -1.60907578 0.328259217 -0.434131338 1.008718108 -0.108582571 0.316883476 0.119454426 0.784109446 1.320823991 0.059507091 -0.002047117 2.11298922 0.6409174 -0.446297532 -1.389800316 TG 58:11|TG 16:0_20:5_22:6 1.11960737 0.22242311 -0.4339724 0.67797363 -1.17633588 -0.98794105 0.12293224 -1.18510733 -1.19114712 -1.61538758 0.92607073 0.27138191 0.06021788 -0.69598458 1.96007024 0.31697921 1.34564512 0.26257452 TG 58:11|TG 18:2_18:3_22:6 -0.01632308 -1.13915808 -1.21356787 -1.36278482 -0.3120782 -1.04013156 0.58070845 -0.67039816 -0.31299581 -0.87509935 0.67003182 0.84864765 0.57192976 -0.32235713 2.11039299 1.51368401 1.08778769 -0.11828832 TG 58:11|TG 18:2_20:4_20:5 0.03208619 -1.063468698 -1.186530091 -0.894725455 -0.438522734 -1.000667774 -0.086815062 -0.651151782 -0.200005291 -0.783941408 1.018455234 1.173906785 0.540810353 -0.005411863 2.574671787 1.205925184 0.412480811 -0.647096185 TG 58:12|TG 18:2_18:4_22:6 2.12698774 0.93770992 0.09331064 0.68372145 -1.01076412 -0.58802708 -0.85923106 -0.88593059 -0.83323602 -1.08011097 0.42709621 -0.01558184 -0.09930056 -0.87565262 2.24674863 0.35574249 -0.16879146 -0.45469075 TG 58:12|TG 18:2_20:5_20:5 2.1303122 1.08695676 0.36466002 1.03639756 -1.08112889 -0.55212709 -1.00135814 -0.8884938 -0.7319834 -1.07744508 0.31033666 -0.02928406 -0.05961357 -0.88424702 1.94732621 0.25126369 -0.27779905 -0.543773 TG 58:3|TG 22:0_18:1_18:2 -1.0641405 -1.2545477 -1.3808811 -1.3408631 0.6434679 -1.0180459 1.9610431 -0.1937925 -0.6724321 1.2462939 0.1287338 -0.4621506 0.2338634 0.5057841 0.3923308 0.1464575 0.6985568 1.4303221 TG 58:4|TG 18:1_22:1_18:2 -0.9571174 -1.1794263 -1.1225785 -1.2484247 0.9741586 -0.9949142 1.4190073 0.2479346 -0.1478044 1.5984617 -0.6074604 -0.7942312 1.1711153 0.4610451 -0.3646962 -0.5474283 0.848993 1.2433661 TG 58:5|TG 18:0_18:1_22:4 0.169648355 -0.7712421 -0.612441572 -0.90285481 1.170593284 -0.045950948 3.515145841 0.003683594 -0.520761291 0.380007509 -0.256003207 -0.076362404 -0.663580999 -0.142938497 -0.189721232 -0.479834412 -0.484714475 -0.092672635 TG 58:5|TG 18:1_18:2_22:2 -0.73852065 -1.30011583 -1.12377308 -1.18846479 1.2398472 -0.8959024 1.85646058 0.53447496 -0.04815023 1.40224428 -0.64821501 -0.70618668 0.55169204 0.86878024 -0.78837497 -0.50427071 0.53595414 0.95252093 TG 58:6|TG 18:2_20:2_20:2 0.620333553 -1.215171117 -1.438363643 -1.505895723 -0.198682465 -0.887282098 2.245481885 -0.22732513 -0.475919113 0.386221529 -0.003208137 -0.339449924 0.527065542 1.582122934 -0.321648676 -0.249706433 0.352871016 1.148555998 TG 58:7|TG 18:0_18:1_22:6 1.92249446 0.26446873 -0.39693171 -0.75399291 1.14010711 0.23443793 1.33385829 0.39847035 0.05351839 1.3521621 -0.23751866 0.23588462 -1.30735451 -0.76732262 -0.04906362 -0.31902735 -1.39109703 -1.71309359 TG 58:7|TG 18:1_18:2_22:4 -0.47753677 -0.96291374 -1.48094106 -1.23230509 -0.21416223 -0.6720489 2.5196737 -0.85496475 -0.64081525 -0.41591016 0.27209425 -0.04626617 0.9230687 0.63216692 0.3525606 0.23174685 1.44005629 0.6264968 TG 58:8|TG 16:0_18:2_24:6 0.860886185 -0.009368799 -0.958862721 -1.431618285 0.388842599 1.104842833 0.751955258 -0.332698858 -0.509743509 0.753732695 0.606158079 0.754571801 -0.130417705 0.552470835 0.673792954 0.874094646 -1.708859798 -2.239778211 TG 58:8|TG 18:0_18:2_22:6 0.36175869 -0.65838559 -1.24157533 -1.73819227 0.69478853 0.21728527 2.36148814 -0.12762588 -0.45083984 0.54414481 0.56145283 0.49467985 0.03901616 0.19159884 0.57355866 0.80188988 -0.96971149 -1.65533126 TG 58:8|TG 18:1_18:2_22:5 0.8663172 -1.1002399 -1.0960296 -1.4882854 -0.1014782 -0.9121504 1.6928749 -0.9259101 -0.898062 -0.6852315 0.7537626 0.2690983 0.854301 -0.4197034 1.6801698 0.6000953 1.0196231 -0.1091517 TG 58:9|TG 18:1_18:2_22:6 0.16424144 -0.95637794 -1.35536223 -1.69434498 0.37799705 0.03790649 1.49766846 -0.30865672 -0.0565743 0.38494475 0.83868453 1.04663503 0.2829439 -0.10862532 1.52782049 0.89587839 -0.85477985 -1.71999921 TG 58:9|TG 18:2_18:2_22:5 0.3365664 -1.4473711 -0.8931122 -1.0847984 0.2366134 -1.3837188 0.8472164 -0.8831859 -0.7613176 -0.7809094 0.5042703 0.2046805 0.8111989 -0.480314 1.9092364 0.7082187 1.5794134 0.5773131 TG 60:10|TG 18:0_20:4_22:6 -0.186185214 -1.033535652 0.627602124 -0.389998228 -0.675563414 -0.099637745 1.832159879 0.105094657 -0.270248348 0.179360253 0.002286326 1.591688064 -1.171387045 -0.732783239 1.529854595 1.016636046 -0.494998564 -1.830344497 TG 60:10|TG 18:1_20:3_22:6 0.86419106 -1.01122172 -0.91354632 -1.35162822 0.26040578 0.20155766 1.8189138 -0.05556459 0.21859546 1.07054448 -0.06063404 0.40107385 -0.07904009 0.97287928 0.87291389 0.20803059 -1.39790533 -2.01956553 TG 60:11|TG 16:0_22:5_22:6 0.03722946 -0.90458506 -1.08636415 -1.2159257 -0.70952456 0.69885699 0.13613512 -0.48585028 -0.47429684 -0.53506856 1.3406924 1.4180085 0.11494647 1.04288509 1.67489845 1.20974743 -1.01177675 -1.25000803 TG 60:11|TG 18:1_20:4_22:6 -0.12120495 -1.08024065 -1.16004446 -1.35424025 -0.68427216 0.63599013 0.50385421 -0.53112612 -0.5356582 -0.59011986 1.27560437 1.34132637 0.08064995 1.04816094 1.64622423 1.30981925 -0.74218555 -1.04253725 TG 60:11|TG 18:2_18:3_24:6 2.010312232 -0.774102783 -0.553299532 -0.944399916 -0.459189911 -0.312055912 0.640223407 -0.608252926 0.179023067 0.402667503 0.367585234 0.72124821 0.003395594 0.636252311 1.761146635 0.13469414 -1.072357676 -2.132889678 TG 60:12|TG 16:0_22:6_22:6 -0.4384357 -0.9407801 -0.8113693 -1.027214 -0.9713194 -0.2321582 1.350745 -1.1041462 -0.9240965 -0.899009 1.1430158 1.3771524 0.9745063 0.6091856 1.3971584 0.6676384 0.8005211 -0.9713945 TG 60:12|TG 18:1_20:5_22:6 0.17709898 -0.71255186 -0.79319914 -0.65002202 -0.89469364 0.30231386 -0.19578816 -0.66226689 -0.15765198 -0.87596622 1.10805848 1.51898666 0.05661411 0.83127328 2.35818325 0.87274442 -0.92961554 -1.3535176 TG 60:13|TG 18:2_20:5_22:6 1.64328065 0.46618982 -0.20413686 -0.04721836 -0.92622276 -0.31115242 -0.79402303 -0.75437135 -0.55683007 -0.96937495 0.73736818 0.69199525 0.05637252 -0.74347541 2.65782577 0.70352771 -0.56405507 -1.08569962 TG 60:4|TG 18:1_24:1_18:2 -0.38379342 -1.03880803 -0.69570683 -0.82515753 2.09414664 -0.97525696 2.68854785 0.603376 -0.09299999 0.12625424 -0.62675015 -0.17899023 -0.64973483 0.43042012 -0.49221285 0.49505738 -0.34194644 -0.13644498 TG 60:5|TG 18:1_18:2_24:2 -0.57231609 -1.10416664 -1.06864136 -1.0320395 2.38032534 -0.84760064 2.18366785 0.14347178 -0.50615648 0.89502432 0.14331548 -0.3265914 -0.6803353 0.21894077 0.07132735 0.47487813 -0.38321158 0.01010797 TG 60:8|TG 18:0_20:4_22:4 -0.61756311 -1.24341345 -1.22525273 -1.32667975 0.67248753 -0.27177509 2.00726476 0.89301756 0.01962551 1.61500751 -0.29027504 -0.28461478 0.76506689 1.36279693 -0.54993634 -0.50124501 -0.22625631 -0.79825507 TG 60:8|TG 18:1_20:3_22:4 -0.48877057 -1.19561338 -1.11184377 -0.30852896 0.1378723 -0.62451846 1.8729733 0.19199561 2.4614439 1.46425048 -0.23452472 -0.35214612 -0.02541984 0.05447537 0.15654795 -0.48616501 -0.39756895 -1.11445915 TG 60:9|TG 16:0_22:4_22:5 -0.35702026 -1.32350643 -1.27206515 -1.42136803 0.71368197 -0.21306649 1.62781796 0.6551839 0.4500081 1.79070947 -0.17926206 -0.16823779 0.76367649 1.22770473 -0.07275992 -0.26412918 -0.59275291 -1.36461438 TG 60:9|TG 18:1_18:2_24:6 -0.68634582 -1.44313015 -1.19138066 -1.1997574 -0.2437674 -0.44036655 2.56722947 -0.33200645 0.11913895 0.53906307 0.05009558 0.36296967 0.43619217 1.92372057 0.06856487 -0.01080166 0.02624444 -0.54566269 TG 62:12|TG 18:1_22:5_22:6 2.2811833 -0.2594469 -0.5088169 -0.8497308 -0.4310287 -0.3137293 0.6434142 -0.5376008 -0.9353448 -0.727933 0.8597362 0.6978423 0.1162459 -0.4207758 1.640403 1.1280592 -0.9287932 -1.4536838 TG 62:13|TG 18:2_20:5_24:6 2.57576884 -0.20668054 -0.04317758 -0.20717507 -0.78861985 -0.54760384 -0.23192035 -0.79216412 -0.5957847 -0.89466095 0.51255859 0.87297553 0.08487202 -0.4726448 2.01837202 0.444761 -0.36549475 -1.36338145 TG 62:13|TG 18:2_22:5_22:6 1.043158552 -0.354994893 -0.925171002 -1.214379135 0.162530167 0.496806871 0.091098202 0.208125293 0.005559472 0.084591139 0.675761513 1.390456162 -0.498689366 -0.096667541 1.322129304 1.319875744 -1.629048974 -2.08114151 TG 62:14|TG 18:2_22:6_22:6 1.11768826 -0.40076927 -0.57154131 -0.76950025 -0.40937042 -0.02301284 -0.3173401 -0.22851617 0.06111196 -0.35366788 0.73407602 1.79878847 -0.33009705 -0.11725121 2.09452575 0.87558698 -1.28408183 -1.87662909 TG O-50:1|TG O-17:0_16:0_17:1 -0.8321828 -0.4061651 -0.4487252 2.7629236 0.6338016 -0.6849284 0.8372767 -0.3157588 0.3818929 1.3245676 -0.8443115 -0.6620086 -0.338133 0.8112119 -1.2421846 -0.7459854 -0.7011925 0.4699016 TG O-50:1|TG O-18:1_16:0_16:0 -1.3091077 -0.14830169 -0.07840279 2.80793103 0.67543589 -1.23960218 0.88707458 -0.0583 0.68058909 0.96207603 -0.58981765 -0.86281729 -0.15474146 -0.47902448 -0.61734913 -0.84983411 -0.39711513 0.77130699 TG O-50:2|TG O-16:0_16:0_18:2 -0.844385 -0.7751803 -0.390902 2.593736 0.3402837 -0.7314009 0.9860719 -0.4442469 0.5178067 1.1765242 -0.6452836 -0.7848206 -0.6206304 1.0550784 -0.9548954 -0.9080461 -0.4825001 0.9127904 TG O-52:1|TG O-18:0_16:0_18:1 -0.410685 0.1453176 -0.4396954 2.4859637 1.10093 0.2418393 2.1128971 -0.4442154 0.5733979 0.1515766 -0.6322295 -0.8257172 -0.894685 -0.8608852 -0.3092135 -0.5366211 -0.9331806 -0.5247944 TG O-52:3|TG O-18:1_16:0_18:2 -1.1423149 -0.8555382 -0.6292072 1.9523119 0.7536101 -0.9719624 0.7106924 -0.451467 0.8379598 1.0917102 -0.5601006 -0.8476228 -0.5593986 1.117806 -0.9958934 -0.7593167 -0.2458694 1.5546008 TG O-52:4|TG O-18:2_16:0_18:2 -0.8275457 -0.7076036 -0.4357653 2.1366592 0.5516123 -0.8305603 0.5973896 -0.3026978 0.5558126 0.5293214 -0.8644919 -0.868614 -0.6381228 1.1904731 -1.0797141 -0.8043254 -0.1667109 1.9648836 TG O-54:3|TG O-18:0_18:1_18:2 -0.89623452 -0.54619413 -0.88791432 1.29969765 1.27721686 -0.60508983 2.49406459 -0.90833786 0.48174274 0.98572591 -0.30730574 -0.5423606 -1.05104685 -0.03852168 -0.75357367 -0.40935604 -0.45238194 0.85986944 TG O-54:4|TG O-19:2_17:0_18:2 -0.7746822 -0.413687 -0.7712773 1.2917296 1.3948658 -0.8022512 2.3335587 -0.912197 0.3356174 0.6502538 -0.326809 -0.3978799 -1.3218829 -0.112095 -0.6617912 -0.3993568 -0.4353461 1.3232303 TG O-54:6|TG O-16:0_16:0_22:6 -0.8087877 -0.38333256 -0.20265533 3.57605732 0.15129438 -0.27706474 0.07659961 -0.44066225 0.47337967 0.54541526 -0.35296841 -0.66782787 -0.37486165 0.64286456 -0.08405011 -0.72613157 -0.91390683 -0.23336177 TG O-56:5|TG O-18:1_16:0_22:4 -0.38824519 0.49684765 0.36487436 2.29480405 1.37579502 -0.01682676 2.07237047 -0.23340469 0.35088454 -0.45492512 -0.80760533 -0.75354948 -0.78914389 -0.66260413 -0.32500622 -0.58336689 -1.06902768 -0.8718707 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name Alignment ID Average Rt(min) Average Mz Adduct type Post curation result Fill % MS/MS assigned Reference RT Reference m/z Formula Ontology INCHIKEY SMILES Annotation tag (VS1.0) RT matched m/z matched MS/MS matched Comment Manually modified for quantification Manually modified for annotation Isotope tracking parent ID Isotope tracking weight number Total score RT similarity Dot product Reverse dot product Fragment presence % S/N average Spectrum reference file name MS1 isotopic spectrum MS/MS spectrum Adenosine 5'-monophosphate 965 0.435 348.06979 [M+H]+ 0.61 TRUE 0.42 348.07037 C10H14N5O7P Others UDMBCSSLTHHNCD-KQYNXXCUSA-N NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H]1O 430 TRUE TRUE TRUE FALSE FALSE null null 88 100 72.5 87.3 100 5138.25 6-08-18-2022-POS-Isaac-L03 348.06979:13394973 349.07314:2285241 350.0765:326534 51.51174:6307 51.77871:4785 57.25121:9876 60.01456:4343 63.9716:4124 74.74994:3986 90.05463:4653 97.02831:212397 99.71585:4633 102.88876:4449 111.32278:4769 116.03871:4571 119.03587:5713 123.07985:5024 135.59976:4719 136.06203:3964820 169.08528:6327 170.74501:5005 178.0712:5026 224.8987:4408 224.90956:9021 248.85748:4662 250.09276:11933 262.55435:5254 313.66702:4309 330.07693:6269 348.07043:329706 BMP 40:8|BMP 18:2_22:6 2292 10.634 836.54376 [M+NH4]+ 0.488 TRUE 7.95 836.54358 C46H75O10P BMP VZNVSSRNAYGTMV-UHFFFAOYSA-N O=C(OC(CO)COP(=O)(O)OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 56.6 78.2 100 361.34 7-08-18-2022-POS-Isaac-L04 836.54376:4864442 837.54711:4197700 838.55047:1134172 55.05446:14847 57.03372:11000 57.07004:6127 67.05441:38583 69.07004:17993 71.08575:5488 79.05435:17790 81.0697:30545 83.08564:17130 91.05423:21111 93.06983:27001 95.08531:30680 97.06475:5341 97.10121:6774 102.12774:4901 103.20883:2923 105.0697:13676 107.08572:13920 109.10136:14885 117.07013:9062 119.0852:17919 121.10082:11274 123.11651:8649 129.06953:6692 131.08513:11071 133.10143:15340 135.11699:7070 143.08562:5522 145.10129:4690 147.11676:7687 149.13252:4478 159.11674:4326 161.13214:5613 169.63544:3167 171.1169:3718 184.0737:5810 198.55222:2871 203.17915:5273 221.13911:5791 221.15147:7924 263.23849:3935 269.2262:3380 303.88815:4237 337.27448:235935 361.27322:22656 385.27475:133585 446.53656:3468 651.53296:5151 682.71143:3416 727.02466:2969 BMP 44:12|BMP 22:6_22:6 2367 10.266 884.54114 [M+NH4]+ ion correlated with 1147; adduct linked to 2376_[M+H]+ 0.488 TRUE 7.78 884.54358 C50H75O10P BMP FMHFZIDTIQEZJJ-UHFFFAOYSA-N O=C(OC(CO)COP(=O)(O)OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 97.1 100 46.6 62.2 100 1358.59 22-08-18-2022-POS-Isaac-L18 884.54376:4640446 885.54711:5231413 886.55047:1557941 54.26824:2831 55.37859:2677 57.03345:3074 67.05432:11296 72.41079:2926 79.05431:8754 81.06996:8140 81.68746:2921 89.95831:3092 91.05415:11648 93.06975:16774 95.08521:7326 98.85389:3025 105.06958:7766 107.08516:4448 116.61513:3119 117.06936:4268 119.08529:6046 121.10073:4483 131.08504:4387 133.10114:4515 145.1012:3321 157.10075:3174 159.11662:3494 160.92252:3281 218.84248:23239 349.88638:2939 385.27423:89765 439.19241:3158 CAR 16:0 1216 6.021 400.34222 [M+H]+ 0.976 TRUE 6.08 400.3421 C23H45NO4 CAR XOMRRQXKHMYMOC-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 75.6 87.5 100 508.79 14-08-18-2022-POS-Isaac-L10 400.3421:9566448 401.34545:3737374 402.34881:435596 53.69619:2484 57.0337:4676 57.06996:10683 59.06072:2516 59.07583:2144 60.08096:53371 69.06996:2273 71.08541:4903 81.0696:3371 83.08557:5111 83.4785:10794 85.02812:408615 85.10098:4473 91.92841:2225 95.08525:4737 97.10118:4169 106.57842:2456 109.10126:5109 124.12809:2116 126.9303:2175 133.58638:2381 144.10159:9853 147.47466:2003 159.828:2363 196.07503:2300 204.06187:2294 210.14545:2475 225.06166:6361 239.23615:12361 292.53189:4074 333.71198:2991 341.26984:38934 384.75943:2819 400.34079:340311 CAR 18:0 1332 7.428 428.3732 [M+H]+ 0.463 TRUE 6.69 428.37341 C25H49NO4 CAR FNPHNLNTJNMAEE-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCCCC)C[N+](C)(C)C 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 76.4 87.9 100 242.97 13-08-18-2022-POS-Isaac-L09 428.37308:3692946 429.37643:1442308 430.37979:222605 51.10965:2289 57.03371:2232 57.07003:5956 60.08082:38028 62.8289:2294 64.4508:2314 65.79695:2445 71.08542:9291 83.08558:3187 83.47687:9241 83.95547:2168 85.02823:278093 85.10099:5355 89.05962:3681 91.91896:2234 95.08526:5181 103.03849:2472 109.10128:3655 111.11688:2463 115.17528:2165 121.06432:5005 131.69386:2820 144.10159:9214 267.26874:6727 271.15482:5080 296.45737:2300 339.9234:2276 369.2999:31930 428.37396:302098 CAR 18:2 1310 6.079 424.34204 [M+H]+ 0.439 TRUE 5.88 424.3421 C25H45NO4 CAR MJLXQSQYKZWZCB-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCC=CCC=CCCCCC)C[N+](C)(C)C 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 74.7 87.8 100 100.52 13-08-18-2022-POS-Isaac-L09 424.34198:1452630 425.34533:628486 426.34869:143163 55.05442:2611 56.91897:2080 60.08102:11688 69.06997:4868 72.619:2162 78.60951:1994 83.08558:5159 83.47523:2485 85.02811:70794 96.76258:2026 109.10128:2731 114.11245:2443 123.07983:2993 140.17682:2024 158.50223:2489 222.84888:6319 294.75229:2113 424.34268:68016 CAR 20:2 1416 6.608 452.37381 [M+H]+ 0.488 TRUE 6.27 452.37341 C27H49NO4 CAR OLZWDVKTOGTVLC-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)C[N+](C)(C)C 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 80.8 87.9 100 141.22 14-08-18-2022-POS-Isaac-L10 452.37286:1884952 453.37621:907065 454.37957:164620 50.14955:2099 53.08908:2367 53.67128:2390 55.05441:6380 57.07002:3709 60.08101:37475 60.42897:2320 62.11564:1994 69.06998:21313 71.42572:2291 74.68301:2186 74.77109:1935 75.88714:2356 81.0696:5374 83.08573:14336 83.4785:7802 85.02816:194562 89.88191:2254 91.4787:2262 95.08525:7128 97.10139:10914 107.08521:3906 111.11624:3129 112.66962:2280 120.36943:2168 121.10078:2932 123.11647:2991 144.10159:9061 157.04906:2419 173.83067:2328 175.14835:2630 175.83347:2320 181.74976:2780 197.49162:2183 202.24017:2317 223.51283:7771 250.97182:2470 268.91577:2500 358.21814:2528 452.37234:286849 CAR 20:4 1402 5.573 448.34161 [M+H]+ 0.488 TRUE 5.68 448.3421 C27H45NO4 CAR VPEBWBVNBKLXSR-UHFFFAOYSA-N O=C([O-])CC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)C[N+](C)(C)C 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 66.8 87.9 100 205.85 4-08-18-2022-POS-Isaac-L01 448.34192:512467 449.34527:192855 450.34863:33155 60.08085:13351 61.34945:2133 64.93573:2137 67.0541:6197 68.31364:2179 69.07001:4053 73.99187:2385 81.06966:9482 85.02826:49708 93.06984:4480 95.08531:6629 105.0697:2488 107.08528:2844 133.10129:3255 144.10168:2264 157.1115:2805 192.64557:2651 218.63226:17069 303.86554:5228 339.1109:2998 448.34036:78921 Carnitine 124 0.411 162.11208 [M+H]+ 0.976 TRUE 0.42 162.11209 null null PHIQHXFUZVPYII-ZCFIWIBFSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.9 99.8 null null null 19769.57 7-08-18-2022-POS-Isaac-L04 162.11237:291866624 163.11572:33409738 164.11908:4663138 51.49428:113043 53.19556:53297 55.1794:48004 55.80314:51032 56.04965:59029 58.06576:69347 59.0717:51480 60.08104:4886478 60.67153:46053 70.0651:72240 70.30941:49846 73.0233:56845 79.89179:46419 83.53832:51918 84.04433:72742 85.02817:974681 87.30262:50131 87.98619:76408 88.51175:48045 97.02831:74985 98.06002:1653745 102.09122:1552322 103.03908:6098576 107.90604:51025 115.03873:53381 116.07023:1192587 132.08823:52432 144.06544:866257 162.11264:42767088 CE 18:1 1930 23.815 668.63293 [M+NH4]+ similar chromatogram in higher mz_2338 0.585 TRUE 23.84 668.63104 null null RJECHNNFRHZQKU-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.3 99.9 null null null 99.24 26-08-18-2022-POS-Isaac-S03 668.63269:590595 669.63604:435711 670.6394:84779 51.17598:2151 62.8262:2273 66.08205:2530 79.91016:2381 103.87046:2988 111.2849:2825 135.17004:2306 138.49052:2395 138.91318:2485 193.38237:2543 198.5611:2466 222.70953:2414 223.06142:8656 291.09753:2740 369.34912:7475 479.41873:3297 523.68793:3261 CE 18:2 1924 22.93 666.6167 [M+NH4]+ adduct linked to 1934_[M+Na]+ 0.659 TRUE 22.947 666.61475 null null NAACPBBQTFFYQB-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.9 100 null null null 371.67 8-08-18-2022-POS-Isaac-L05 666.61682:926200 667.62017:791419 668.62353:203816 62.74319:2320 81.06963:4088 89.0452:2613 90.41629:2458 95.08528:3094 103.255:2530 109.10069:3821 110.58751:2392 135.11615:3254 147.11676:5532 149.13252:2773 162.96585:2634 175.14841:3572 215.17931:3077 352.63599:2787 359.27234:2842 369.34915:33332 467.27499:2456 CE 20:5 1959 21.681 688.60083 [M+NH4]+ ion correlated with 1073 0.488 TRUE 21.718 688.59924 null null XZFUGMCJZFRBKF-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.2 99.6 null null null 469.22 27-08-18-2022-POS-Isaac-S04 688.60083:3017635 689.60418:2722593 690.60754:613268 51.76709:2603 53.79199:2556 57.07001:5710 61.97946:2373 63.52812:2470 66.08927:2569 67.05434:3356 69.06995:4929 71.0854:6682 79.9896:2664 81.06998:9651 83.08555:7500 85.10096:3750 93.06975:6144 94.88298:2381 95.08523:11480 97.10116:5257 107.08519:6284 109.10135:13460 111.11684:5743 117.15103:2480 121.10076:5326 123.11645:7074 133.10117:5457 135.1169:16142 147.11687:25279 149.13246:9956 161.13252:24745 163.14795:3630 175.14832:9810 180.3271:2725 189.16379:5730 198.41702:3015 203.17905:7196 205.19473:3302 215.18088:3227 218.84453:9131 218.85844:9752 219.21169:2846 233.22665:5276 243.21072:8237 257.22653:4611 259.24258:3245 273.25934:3272 283.46616:2611 285.2551:2427 287.27261:3867 293.17749:2922 339.10727:2795 369.35327:103229 375.59235:3425 461.62241:3147 519.29633:2547 CE 22:6 1998 21.903 714.61713 [M+NH4]+ adduct linked to 2004_[M+Na]+ 0.488 TRUE 21.933 714.61572 null null VOEVEGPMRIYYKC-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.2 97.4 null null null 570.06 27-08-18-2022-POS-Isaac-S04 714.61719:5231260 715.62054:4669550 716.6239:1199956 50.84042:2203 57.07024:3387 60.20115:2507 67.05434:2627 69.06995:3865 71.08572:5708 74.69547:2665 81.06998:11396 83.08555:5958 89.7065:2562 93.06975:4283 95.08573:9826 97.10116:4374 105.06961:2730 107.08519:4584 109.10124:12796 110.24801:2547 118.59713:2491 121.10147:5133 123.11718:6111 133.10117:3941 135.11693:16550 147.11671:19329 149.13246:7402 161.13219:17059 168.52716:2548 175.14832:7636 179.17963:3287 187.14803:3248 189.16379:6365 201.16376:4709 202.92581:2696 203.1806:3791 215.17918:4688 218.85242:20792 219.21169:3455 220.50311:2951 233.22665:3939 234.01447:2860 259.24258:3774 364.49731:2473 369.35291:80508 433.64291:2707 605.41907:3082 633.39648:3121 Cer 34:1;2O|Cer 18:1;2O/16:0 1718 14.267 538.51923 [M+H]+ adduct linked to 1678_[M+H-H2O]+ 0.585 TRUE 14.22 538.51764 null null YDNKGFDKKRUKPY-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.3 95.5 null null null 320.08 15-08-18-2022-POS-Isaac-L11 538.51904:5619316 539.52239:2507885 540.52575:470894 55.59137:3490 56.04963:5367 57.06978:3301 57.43487:2357 60.04449:3419 60.66872:2393 63.55668:2302 67.05434:6223 75.89316:2316 79.05395:3072 81.06959:4080 82.0649:8961 83.08515:2903 85.10096:2872 87.1229:2530 93.06976:3671 95.08523:7641 96.08095:4635 97.10117:2618 98.48301:3193 109.10125:2425 120.00304:2367 121.10076:5429 131.892:2303 135.11693:4714 140.42209:2314 158.74776:2442 163.21284:2591 180.48579:2556 194.7188:2378 198.63625:2476 252.26794:52438 256.26373:7904 264.26852:521557 282.27878:63149 303.89371:5275 490.49933:9470 491.21155:2532 502.50024:11923 520.50598:42956 Cer 36:1;2O|Cer 18:1;2O/18:0 1767 15.824 566.55054 [M+H]+ similar chromatogram in higher mz_1871; similar chromatogram in higher mz_1879 0.463 TRUE 15.774 566.54889 null null VODZWWMEJITOND-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.2 93.1 null null null 369.32 21-08-18-2022-POS-Isaac-L17 566.55011:720011 567.55346:370408 568.55682:77981 67.59758:2194 78.68471:2274 80.75701:2219 81.55604:2407 90.74061:2161 153.35432:2284 209.59697:2499 217.4881:27454 222.78802:2272 226.03616:2570 235.0865:2362 252.26791:3587 264.26837:35141 264.74643:2581 282.27853:6244 303.86517:4912 313.27057:2962 390.95041:2436 443.81857:2948 548.54053:4567 Cer 38:1;2O|Cer 18:1;2O/20:0 1809 17.299 594.58087 [M+H]+ 0.488 TRUE 12.05 594.58197 C38H75NO3 Cer_NS XWBWIAOWSABHFI-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 82.6 86.6 100 216.07 7-08-18-2022-POS-Isaac-L04 594.58099:3089376 595.58434:1865264 596.5877:353432 60.95718:2194 61.81376:2199 78.24378:2635 82.06494:2444 102.53171:2548 131.75963:2471 154.01408:2265 168.44507:2495 252.26813:6208 264.26904:68730 282.27878:9438 308.44601:2349 404.3306:2533 558.55865:3224 562.20447:2657 576.57074:8614 Cer 39:1;2O|Cer 18:1;2O/21:0 1831 17.992 608.59717 [M+H]+ similar chromatogram in higher mz_1925 0.488 TRUE 17.933 608.59601 null null FWXJRGLCUAXNLA-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 95.2 90.9 null null null 192.48 16-08-18-2022-POS-Isaac-L12 608.59698:709193 609.60033:388050 610.60369:70694 50.8776:2257 54.51718:2030 59.78409:2091 67.8354:2601 84.61379:2934 97.17105:2382 104.48697:2305 110.29213:2712 121.23249:2389 159.30214:2503 212.64822:2510 223.80904:5717 236.23619:2594 250.25192:26105 264.26859:18304 268.26355:2801 446.4249:2526 496.27023:4013 572.57812:3384 583.74127:2814 Cer 40:0;2O|Cer 18:0;2O/22:0 1853 19.165 624.62891 [M+H]+ 0.512 TRUE 13.25 624.62891 C40H81NO3 Cer_NDS SXPRAKSDHOEHIG-UHFFFAOYSA-N O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 48.6 50.2 100 142.26 8-08-18-2022-POS-Isaac-L05 624.62915:1136842 625.6325:669921 626.63586:163504 50.0618:2390 53.85264:2191 55.05443:2375 56.05732:2946 56.4084:2323 57.07027:2063 60.04452:5896 71.28791:2677 71.842:2445 78.92737:2169 81.07002:5527 83.06812:2608 95.08528:3991 105.24042:2316 109.1013:3663 111.11753:3094 115.67589:2567 178.23587:2249 182.69666:2561 223.87749:3695 223.88828:5527 230.5842:2496 266.28433:12275 275.6637:3104 278.68817:2778 284.29526:23465 295.69446:3101 302.30478:4811 340.35757:15216 361.18445:2741 606.62213:43342 624.62396:3924 Cer 40:1;2O|Cer 18:1;2O/22:0 1848 18.645 622.61243 [M+H]+ ion correlated with 2182; adduct linked to 1824_[M+H-H2O]+; adduct linked to 1886_[M+Na]+ 0.585 TRUE 18.585 622.61115 null null KEPQASGDXIEOIL-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.3 93.2 null null null 2281.73 30-08-18-2022-POS-Isaac-S07 622.61218:495220 623.61553:296174 624.61889:53311 56.16425:2615 63.93755:2443 69.97294:2494 77.52173:2252 107.63218:2660 118.48215:2751 152.58662:2722 156.11613:2786 224.12578:5793 252.26807:6573 252.31969:2889 264.26831:44084 281.91245:2412 282.27869:2861 412.74744:2633 445.89893:2463 458.38669:2617 461.8782:2799 502.96021:2295 510.30573:3034 535.60889:2362 550.44226:2394 604.60437:4794 Cer 40:2;2O|Cer 18:2;2O/22:0 1846 17.452 620.59656 [M+H]+ ion correlated with 1881; adduct linked to 1881_[M+Na]+ 0.488 TRUE 17.403 620.59564 null null AWTNSRHUZXWBCO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.9 94.5 null null null 567.09 15-08-18-2022-POS-Isaac-L11 620.5968:1166030 621.60015:741338 622.60351:148161 52.03786:2371 64.55368:2261 75.20159:2307 79.75663:2324 83.35007:2243 98.25206:2168 99.57858:2387 119.48115:2594 123.07906:2288 135.49635:2267 158.11726:2361 224.04289:2713 224.0555:4107 224.0663:3648 249.80629:2561 251.61543:2678 262.25336:55247 280.26303:4225 496.34152:2496 602.5824:6495 Cer 40:3;3O|Cer 18:1;2O/22:2;O 1841 17.293 616.56274 [M+H-H2O]+ 0.488 TRUE 10.82 616.56628 C40H75NO4 Cer_HS GRJUOTWAKYXSJT-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)C(O)CCCCCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 34.7 95.3 100 81.74 7-08-18-2022-POS-Isaac-L04 616.56268:1657564 617.56603:957447 618.56939:213784 51.23896:2516 55.3269:2453 56.04966:4125 60.04452:2740 67.05437:2575 67.05909:2486 69.06998:2848 70.62759:2182 71.75513:2338 72.96572:2604 73.42592:2401 81.07002:3654 82.06493:3796 85.06435:2305 89.05964:4624 93.0698:3196 95.08577:3225 100.60752:2422 109.10068:3091 110.09598:2187 118.52511:2287 118.53897:2224 133.08559:2711 135.11699:2604 223.86848:5926 223.87927:3459 238.25302:20397 250.25224:218494 252.26813:8839 262.25317:10763 264.2688:74339 268.26395:26545 282.27811:12452 329.8678:2515 353.96921:2550 447.27698:2731 534.31384:2874 586.591:3705 598.59381:16529 616.60016:45792 Cer 41:1;2O|Cer 18:1;2O/23:0 1872 19.246 636.62769 [M+H]+ similar chromatogram in higher mz_1912 0.61 TRUE 13.16 636.62891 C41H81NO3 Cer_NS NAJHAHQNQCNWOP-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 90 89.2 100 1076.67 10-08-18-2022-POS-Isaac-L07 636.62769:10320044 637.63104:6166889 638.6344:1403407 56.04966:3745 57.07004:2694 58.75905:2370 60.04452:5479 63.94278:2372 69.24348:2597 71.19785:2748 75.26573:2263 78.47799:2940 81.06963:3669 82.06493:7935 93.0698:2683 95.08528:3051 106.80562:2436 109.1013:3820 110.63371:2562 117.50925:2431 121.10153:3614 195.40329:2774 250.25208:8569 252.26813:24564 264.26849:318771 282.27838:36250 354.3735:6774 385.71335:2566 537.49707:2510 588.60187:3227 600.61035:8721 601.02936:2545 618.617:28948 Cer 41:2;2O|Cer 17:1;2O/24:1 1867 17.884 634.61255 [M+H]+ ion correlated with 1908; adduct linked to 1908_[M+Na]+ 0.488 TRUE 12.86 634.61328 C41H79NO3 Cer_NS IHCUODHUCJDYIO-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 66.7 86.1 100 120.31 13-08-18-2022-POS-Isaac-L09 634.6123:1286970 635.61565:852023 636.61901:213984 51.34899:2125 56.0474:2682 62.55791:2288 64.64595:2109 91.28036:2407 103.48742:2402 104.07709:2889 109.10128:3216 110.67993:2614 128.88632:2496 198.27612:3351 238.25275:4116 250.25208:39569 264.26855:11555 268.26364:6956 282.27872:2880 310.7796:2681 408.13223:2546 598.59265:3189 616.60693:5588 Cer 42:0;2O|Cer 18:0;2O/24:0 1906 20.31 652.65808 [M+H]+ 0.512 TRUE 20.25 652.65723 null null BPLYVSYSBPLDOA-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 93.7 90.6 null null null 236.21 15-08-18-2022-POS-Isaac-L11 652.65973:1010251 653.66308:595463 654.66644:137440 52.31259:2352 60.04455:13140 69.31247:2368 70.06507:3721 71.0854:2645 73.00284:2483 74.15985:2644 77.78545:2451 81.06998:4386 83.08556:3234 95.08573:6652 102.39359:2543 109.10125:6442 113.2535:2733 126.76693:2829 135.3145:2525 138.38824:2494 178.78886:2748 209.09624:2649 266.28378:21659 268.20932:2405 284.29532:35720 291.3804:2551 302.30463:5419 303.86526:8294 312.9881:2920 337.88031:2651 368.38696:19435 439.95441:2896 493.46335:2698 616.63965:4593 634.64813:74415 652.65894:4904 Cer 42:1;2O|Cer 18:0;2O/24:1 1901 19.046 650.64453 [M+H]+ adduct linked to 1936_[M+Na]+ 0.463 TRUE 18.992 650.64105 null null WLDYKNUYRLBSJM-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 93.8 91.6 null null null 331.19 19-08-18-2022-POS-Isaac-L15 650.64392:1736531 651.64727:1147144 652.65063:272776 53.98522:2289 55.0546:2606 60.04448:16342 69.06993:6240 70.06537:2465 73.27378:2152 74.95607:2738 81.06995:6976 81.47071:2740 90.46608:2770 95.0857:7738 97.10114:4401 107.78753:2585 109.10121:5651 119.16555:2560 122.22301:2916 122.486:2929 126.39535:2316 155.88586:2588 157.40349:2416 160.86008:2324 182.19382:2534 199.86513:2402 201.71771:2839 219.63734:2757 222.33353:2369 229.75175:2619 236.56392:2393 254.28448:5924 266.28403:20390 284.29492:28078 302.30453:8129 303.89075:6603 359.42197:3334 361.1731:2754 369.66934:2570 373.78189:2561 402.55984:2643 455.4035:2441 614.62231:5712 632.63574:65466 650.64062:4663 Cer 42:1;2O|Cer 18:1;2O/24:0 1900 19.831 650.64441 [M+H]+ adduct linked to 1863_[M+H-H2O]+; adduct linked to 1935_[M+Na]+ 0.683 TRUE 19.775 650.64124 null null ZJVVOYPTFQEGPH-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 93.8 91.5 null null null 5371.07 19-08-18-2022-POS-Isaac-L15 650.64404:27880162 651.64739:19384236 652.65075:4203353 55.59113:4373 56.04961:3913 57.06999:4156 58.81998:2781 60.04447:7014 67.05432:8819 69.06992:3204 71.08537:2995 79.05393:3362 79.43221:3118 81.06956:6779 82.06495:15025 83.08553:4291 93.06972:5709 95.0852:6511 96.08041:5716 97.26107:2702 109.10121:3708 121.10072:6357 124.79736:2379 127.46234:2949 135.11688:3825 139.3033:2929 141.23932:2649 155.15398:2686 166.35226:2442 182.40388:2517 183.77898:2400 217.00018:2637 222.7309:9832 236.41164:2864 252.26793:50994 253.65442:3170 264.26843:629724 282.27863:83136 368.38693:11302 401.65521:3039 404.50488:3010 519.5376:2971 602.62183:7208 614.62219:13981 632.63519:51560 Cer 42:1;3O|Cer 18:1;2O/24:0;O 1925 17.985 666.63708 [M+H]+ 0.439 TRUE 12.97 666.63953 C42H83NO4 Cer_HS WAYLDHLWVYQNSQ-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 53.8 95.8 100 71.83 15-08-18-2022-POS-Isaac-L11 666.63916:334720 667.64251:157013 668.64587:18430 56.30436:2411 60.04454:13908 60.89537:2593 83.08515:2625 89.7745:2412 101.43374:2405 106.7795:2301 112.18201:2237 113.88961:2444 116.87246:2515 121.90814:2971 130.53336:2595 151.46068:2864 163.9541:2849 182.6568:2707 223.55226:2532 252.26801:3755 264.26825:12724 282.27863:8444 300.28894:9092 318.30106:3644 455.15335:2795 590.90802:2618 648.625:16327 666.63611:3706 Cer 42:2;2O|Cer 18:1;2O/24:1 1895 18.508 648.62897 [M+H]+ ion correlated with 1933; adduct linked to 1860_[M+H-H2O]+; similar chromatogram in higher mz_2071 0.659 TRUE 18.472 648.62598 null null HZPUWSUHFOTSAY-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.1 96.5 null null null 4993.07 9-08-18-2022-POS-Isaac-L06 648.62683:31324608 649.63018:17768700 650.63354:4420956 55.05443:11358 55.59651:24539 56.04966:26142 57.07003:15502 60.04452:27143 64.54006:14438 67.05408:34459 68.26151:14223 69.06967:32373 71.08543:17897 73.03804:7978 79.05399:18709 81.06962:28130 82.06499:60386 83.08519:32042 86.68285:9506 87.39027:9698 90.71516:9126 93.0698:22998 95.0854:51583 96.08048:14606 97.10121:15887 97.37916:9592 98.50614:15149 107.08524:10437 109.10129:10968 111.09552:11593 121.10082:26973 123.11651:11072 135.11699:20786 179.61955:8435 206.0638:8848 211.20587:11898 247.24274:12163 252.2681:296150 264.26862:2925026 265.25143:9662 282.27859:346204 329.95465:9632 336.99207:9035 339.836:8104 357.10355:8733 381.80304:9410 416.13974:9169 533.59851:10405 600.61035:34259 612.60797:70553 630.61652:265466 Cer 42:2;2O|Cer 18:2;2O/24:0 1896 18.745 648.62915 [M+H]+ 0.463 TRUE 18.696 648.62799 null null ZCUCZYYSYGKQQV-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.9 94 null null null 791.5 15-08-18-2022-POS-Isaac-L11 648.62866:2387008 649.63201:1409067 650.63537:262683 51.5733:2550 58.36976:2718 60.04449:4032 60.9288:2852 61.42427:2385 71.57175:2328 82.06529:6470 83.82676:2303 84.57537:2407 86.80598:2336 95.08523:3961 121.10076:3333 234.03369:2515 250.25191:19823 262.25308:214728 264.26886:21762 280.26318:21971 282.27863:3060 305.59283:2466 332.9964:2836 341.34067:2857 351.53293:2799 368.38705:5883 390.30399:3095 406.90887:2772 464.49487:2981 527.56927:2531 600.61011:3737 612.60718:7304 630.61694:23814 642.39044:2674 Cer 42:3;2O|Cer 18:1;2O/24:2 1889 17.359 646.612 [M+H]+ adduct linked to 1857_[M+H-H2O]+; similar chromatogram in higher mz_1929 0.488 TRUE 17.314 646.61084 null null GGSZJXUUQMDAST-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.9 95.9 null null null 1524.73 19-08-18-2022-POS-Isaac-L15 646.61145:6316968 647.6148:3864357 648.61816:890622 52.28334:2447 52.65772:2296 56.04961:5615 65.69332:2698 67.05432:5298 69.06993:3305 75.83602:2398 81.06995:5718 82.06527:9917 82.46178:2280 89.65496:2499 95.0857:5559 96.17552:2799 97.10113:2487 104.10724:3043 109.10121:3284 109.19058:2368 110.40411:2490 121.10144:4086 134.88786:2586 135.1169:3369 199.3187:2703 201.56094:2697 250.25188:9588 252.26799:15956 260.89722:2688 262.25299:142896 264.26828:193979 280.26291:12214 282.27838:23881 303.89075:4010 505.84241:2998 610.59344:10929 628.59814:22805 646.61481:3561 Cer 42:3;2O|Cer 18:2;2O/24:1 1857 17.357 628.60309 [M+H-H2O]+ adduct linked to 1889_[M+H]+; found in higher mz's MsMs_1889; similar chromatogram in higher mz_1929 0.488 TRUE 12.67 628.60272 C42H79NO3 Cer_NS RYZWCKUTHDRXFD-UHFFFAOYSA-N O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 46.7 92.4 100 135.43 7-08-18-2022-POS-Isaac-L04 628.60309:1358924 629.60644:811073 630.6098:142553 50.23221:2990 53.845:2580 55.05443:6335 55.59339:4105 56.04987:13570 57.07003:8828 60.04465:12782 65.81329:12135 67.05417:16450 69.06976:13027 70.0651:4320 71.08543:4071 79.05399:8373 81.06975:19051 82.06506:32399 83.08541:12799 84.25193:3095 91.05422:5297 93.0698:10841 94.59592:2701 95.08536:20618 96.08048:7360 97.10121:6779 98.55812:2958 102.37806:2852 107.08523:10565 109.10141:13021 121.10087:13039 123.1165:6184 124.61355:2533 135.11699:6986 137.13239:3203 149.13252:3922 167.32294:2549 186.72827:2842 191.45248:2582 195.74977:2771 199.2056:2818 204.68298:2749 219.65404:15078 226.98058:2689 243.45738:2843 250.25218:37289 252.26801:50827 262.25311:465505 264.26855:643845 280.26315:50071 282.27866:81301 333.58447:3203 347.33258:3346 355.50058:2803 366.37253:3515 431.2728:2528 456.86282:2755 519.65247:2665 598.59271:11246 610.59338:37935 628.60608:89366 DG 34:1 1842 16.881 617.5105 [M+Na]+ adduct linked to 1837_[M+NH4]+ 0.537 TRUE 16.875 617.50952 null null GXKVCDAYOVXTID-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.8 100 null null null 269.51 19-08-18-2022-POS-Isaac-L15 617.51044:5366800 618.51379:3111780 619.51715:719162 52.86592:2221 54.49729:2250 58.22948:2420 77.39429:2529 107.10598:2422 123.11715:2517 126.374:2278 143.56169:2465 217.1736:17563 217.18735:12789 238.86971:2818 266.48224:2480 276.13086:2767 313.27353:3361 361.27261:2726 383.22034:2958 617.51172:255292 DG 34:2|DG 16:0_18:2 1836 15.736 610.53979 [M+NH4]+ adduct linked to 1839_[M+Na]+ 0.561 TRUE 15.735 610.53809 null null SVXWJFFKLMLOHO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.3 100 null null null 741.06 16-08-18-2022-POS-Isaac-L12 610.53973:8729016 611.54308:4883541 612.54644:1041957 55.0544:11319 57.03364:13747 57.07001:49106 58.74983:2364 64.20318:2587 67.05431:36806 69.06991:24882 71.08537:31258 74.70101:2526 79.05432:6825 81.06996:56794 83.0855:27488 85.10099:15258 86.93897:2347 91.05417:7321 93.06974:11206 95.08523:60388 97.10105:20307 99.08064:4289 107.08577:9098 109.10115:34425 109.58364:2574 111.11683:4200 119.08531:4267 119.54776:2677 121.10156:11948 121.23893:2618 123.11648:20456 123.69491:2440 133.10117:9141 135.11691:8313 137.13232:8429 147.11667:7379 149.13245:4358 151.14795:5473 157.96793:2715 161.13205:6918 165.16322:4990 173.74084:2740 175.88974:2626 186.77065:2582 221.22197:10610 239.2368:6841 245.22659:10913 253.53741:2725 257.24646:8602 263.23785:15095 313.27341:213685 337.27411:184271 575.5025:101412 DG 34:3|DG 16:1_18:2 1829 14.392 608.52441 [M+NH4]+ 0.488 TRUE 9.91 608.5249 C37H66O5 DG BHGPPCIWDXQOMA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 11.6 90.5 100 162.34 18-08-18-2022-POS-Isaac-L14 608.52435:921065 609.5277:475095 610.53106:85846 53.08947:2543 57.07023:4961 67.05432:3440 71.18748:3038 78.51377:2252 81.06996:7624 83.08554:2853 95.08571:5273 97.59714:2648 99.55775:2241 104.04284:2547 107.36648:2389 114.97245:2625 125.13933:2543 129.35019:2137 134.01169:2293 174.34599:2419 229.62099:2631 246.16927:2921 282.55371:2437 303.89078:7873 311.25977:11780 327.07782:7803 328.06119:2752 328.08035:5307 337.27359:12265 383.13983:8152 384.1442:9880 396.16824:2609 428.07883:2510 439.2023:7676 440.2067:18662 495.26282:10405 496.2699:37282 526.57532:2729 552.33234:16332 573.4837:3442 DG 36:2 1884 17.133 643.52716 [M+Na]+ ion correlated with 1877; adduct linked to 1877_[M+NH4]+ 0.488 TRUE 17.127 643.52386 null null LWKIYUMZYBCPGM-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.7 98.7 null null null 596.73 4-08-18-2022-POS-Isaac-L01 643.52539:3313054 644.52874:2115159 645.5321:494919 52.62539:2857 73.63783:2642 78.67581:2303 84.29681:2542 88.66531:2683 95.08531:2763 110.07245:2301 121.03722:2567 137.69882:2505 162.28905:2567 163.38661:2332 204.76485:2695 320.92377:2855 333.2937:2532 337.27463:2976 363.51715:2912 392.25284:2627 504.67841:2957 538.96515:2537 643.52863:106107 DG 36:3|DG 18:1_18:2 1871 15.805 636.55591 [M+NH4]+ adduct linked to 1879_[M+Na]+ 0.78 TRUE 15.826 636.55414 null null BLZVZPYMHLXLHG-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.6 99.3 null null null 536.54 4-08-18-2022-POS-Isaac-L01 636.55444:5648674 637.55779:3227383 638.56115:698926 50.03767:2636 55.05445:5005 56.19344:2664 57.03374:3070 57.07005:5403 59.84175:2492 65.29308:2516 67.05438:15515 69.07005:12501 71.08546:2855 78.39449:2488 79.05439:2609 81.06977:16342 81.54862:2645 83.08571:12824 85.10103:2729 89.67237:2462 90.10744:2311 93.06983:8854 95.08543:23622 97.10119:12401 107.08527:4774 109.10131:11977 110.18847:2456 111.11694:3886 112.51642:2495 121.10086:8964 123.11655:7038 127.07558:2574 129.52502:2837 133.10127:3993 135.11703:5137 149.13258:4511 151.14809:2816 161.13219:3322 173.40958:2805 192.08549:2456 245.22682:3379 247.24283:3206 263.2363:4646 265.25385:4324 267.62808:2276 337.27441:66541 339.28867:71006 437.58664:2596 601.52148:40652 617.8172:3046 DG 36:4|DG 16:0_20:4 1866 15.388 634.53912 [M+NH4]+ 0.488 TRUE 15.376 634.53876 null null GYMMHHODMBOFGD-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 463.87 19-08-18-2022-POS-Isaac-L15 634.539:6856006 635.54235:3861841 636.54571:764442 52.99304:2181 55.05438:3593 57.03367:6088 57.07004:20482 58.9721:2230 60.15802:2699 67.05432:10313 69.06993:8106 71.08542:14810 72.84136:2505 75.70892:2637 79.0543:5784 81.06965:18841 83.08553:6322 83.97896:2464 85.10093:11067 91.05415:10236 93.06973:6899 95.08528:22451 97.10113:6841 101.06892:2525 101.53688:2538 105.06974:12202 107.08515:8211 109.10121:9019 117.06936:5102 119.08555:14272 121.10072:9084 123.11641:5060 131.08504:5970 133.10127:14740 135.11604:5056 137.13229:3850 143.08549:5666 145.10118:4738 147.11664:5104 151.14792:2853 153.94524:2457 157.10075:5549 159.11662:3298 161.132:3543 171.11674:7461 173.13145:3062 175.14825:5205 185.13179:4550 187.14796:4405 189.16373:5065 199.14812:4647 201.16368:4155 203.17902:23696 213.56831:2872 237.19604:2463 239.23676:4489 241.4126:2417 257.2464:6534 259.24249:3376 269.22604:23276 287.23627:21656 303.86234:4785 313.27377:130701 341.73358:2636 344.45584:2399 353.75095:2505 361.27307:24708 465.35571:2647 516.75824:2912 566.51489:3267 599.50525:6913 DG 36:4|DG 18:2_18:2 1865 14.658 634.53906 [M+NH4]+ 0.878 TRUE 10.14 634.54053 C39H68O5 DG MQGBAQLIFKSMEM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)CO)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 53.6 86.5 100 215.65 21-08-18-2022-POS-Isaac-L17 634.53906:5681138 635.54241:3724673 636.54577:760473 55.05438:8381 57.03367:4281 57.06999:3769 60.93388:2783 67.05437:23652 69.07005:15179 79.05393:5468 81.06966:30446 81.08328:2460 83.08554:11532 89.46296:2459 91.05368:2934 93.06976:13734 95.08528:28757 95.79843:2528 97.06468:2733 97.10114:11070 97.45961:2381 99.08062:2597 105.06958:3170 107.08515:7150 109.10147:17419 112.24961:2604 119.08529:5490 121.10148:11369 123.11641:9509 124.44264:2719 133.10114:6208 135.1169:4693 137.13229:4048 147.11664:5343 149.13242:4155 149.8447:2392 161.132:4806 163.1479:5813 243.15773:2837 245.22655:3556 261.22101:4701 263.23602:10643 313.27353:3193 335.25845:7421 337.27444:134482 339.2916:4809 403.04587:2548 416.13486:2684 446.41467:3002 599.50671:31834 617.5116:8412 628.5976:2792 DG 36:5|DG 18:2_18:3 1862 13.636 632.5235 [M+NH4]+ 0.488 TRUE 9.8 632.5249 C39H66O5 DG PGXBELQFNRPKBC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 36.9 90.2 100 129.39 12-08-18-2022-Pos-QC01 632.52374:780062 633.52709:550281 634.53045:98893 54.5492:2415 60.554:2091 61.2006:2644 62.56668:2406 63.79263:2576 67.05437:2516 72.12262:2360 81.07001:7111 83.08559:2699 85.10437:2451 93.06979:4356 95.08527:7675 107.08583:3976 109.10129:3855 123.1165:3386 133.10123:3161 158.59547:2427 176.42197:2479 196.72664:2390 276.2789:2702 293.48236:2632 326.24136:2746 335.2587:8485 337.27472:12777 412.52252:2798 466.61417:2522 597.48578:4387 625.67267:2748 632.55048:3576 DG 38:2 1934 22.906 671.57312 [M+Na]+ adduct linked to 1924_[M+NH4]+ 0.488 TRUE 22.945 671.57135 null null XXICPJXOTUXOGD-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99 99.2 null null null 89.32 29-08-18-2022-POS-Isaac-S06 671.57294:481109 672.57629:273736 673.57965:68180 50.67291:2634 55.3815:2476 70.10887:2393 71.48798:2481 84.4307:2944 95.08525:2522 104.2043:2682 124.00125:2450 181.26147:2565 217.31294:11603 217.32671:16772 218.98019:2606 250.58598:2631 303.22913:18460 317.60422:2533 325.53708:2618 355.96512:2638 519.97681:2588 619.22882:2372 626.09283:2621 671.57031:70906 DG 38:3|DG 18:0_20:3 1920 17.402 664.58667 [M+NH4]+ adduct linked to 1932_[M+Na]+ 0.488 TRUE 17.399 664.58569 null null HNIUPWXDMUKNJU-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 142.07 23-08-18-2022-Pos-QC02 664.58612:857212 665.58947:548961 666.59283:100047 50.78577:2220 54.17501:2287 57.07:6671 63.91282:2438 67.05432:3513 71.08538:2674 71.55321:2401 73.99214:2423 75.04569:2372 76.75142:2373 81.06996:5191 92.07048:2391 93.06973:3741 95.08521:6690 100.82176:2843 102.13598:2590 104.64193:2432 111.9947:2524 113.80025:2447 124.03307:2841 341.30341:17287 347.19687:2555 349.91101:2739 363.29022:11235 367.55338:2436 369.71133:2373 383.13983:4698 440.20703:5941 495.26282:6259 496.27051:12526 552.3324:7212 608.39648:3941 611.33118:2660 629.5462:4905 DG 38:4|DG 18:0_20:4 1917 16.778 662.57007 [M+NH4]+ adduct linked to 1926_[M+Na]+ 0.488 TRUE 16.764 662.5694 null null BRKLTVAHEPCGNK-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 509.46 18-08-18-2022-POS-Isaac-L14 662.5697:3473554 663.57305:2175406 664.57641:531403 51.55301:2557 52.4265:2210 57.03368:4014 57.06999:14446 67.05432:10300 67.20638:2483 69.06993:3427 70.06191:2513 71.08565:12633 72.9105:2460 72.98441:2344 75.07536:2571 78.26379:2379 79.05431:4592 81.06993:14008 83.08513:5130 85.06471:2557 85.10136:7468 91.05416:7962 93.06973:6380 95.08525:11934 97.10114:3938 105.06959:5502 107.08576:3889 109.10122:5765 117.07005:3021 119.0853:8867 121.10145:7731 123.11642:3708 129.0545:2780 133.10114:8830 135.1169:3678 137.13229:2401 139.87788:2418 145.1012:5592 147.11665:5780 147.82031:2382 155.03683:2793 157.10075:4255 161.13202:3967 165.55241:2453 171.11678:4145 174.87485:2711 177.16382:2740 185.13181:5768 189.16376:4547 199.14964:2773 201.1637:3506 203.1788:12120 245.29872:2890 259.24026:3362 268.48297:3162 269.2262:11913 287.23666:12473 296.14511:2816 341.30328:80582 361.27362:11809 376.11639:2441 385.22559:2251 403.66776:2662 441.05603:2915 507.87607:2627 627.53302:5370 DG 38:5|DG 18:1_20:4 1916 15.448 660.55573 [M+NH4]+ 0.488 TRUE 15.455 660.5528 null null CDIDDLXSXXDECX-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99 99 null null null 161.03 4-08-18-2022-POS-Isaac-L01 660.5542:1861400 661.55755:965919 662.56091:261920 57.03859:2301 57.07006:3198 67.52105:2407 67.94656:2227 80.75242:2467 81.06221:2323 81.06965:4074 82.15922:2419 83.45931:2548 85.10103:2744 85.83608:2487 140.24908:2316 172.79951:2604 203.17921:4672 205.36385:2720 215.13701:2647 215.75661:2815 269.22629:3504 278.25919:2772 283.16943:2407 287.23624:3216 339.28845:15439 373.32498:2646 554.58356:3010 DG 38:6|DG 16:0_22:6 1910 14.914 658.53943 [M+NH4]+ 0.488 TRUE 14.9 658.53699 null null BXVYQJJBMVVALQ-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.7 100 null null null 743.98 19-08-18-2022-POS-Isaac-L15 658.53931:12970800 659.54266:6831756 660.54602:1698014 52.57761:4249 55.05438:13640 57.03377:26487 57.07006:74498 67.05433:38391 69.07:18061 71.08545:60500 76.25072:4356 79.05408:24182 81.06964:45707 83.08563:22641 85.10105:40436 89.05956:4380 91.05426:26206 93.06976:33775 95.08529:64093 97.10103:18371 105.0697:22441 107.08515:17480 109.1013:39882 117.06935:16452 119.08541:23757 121.10072:17354 123.11641:12053 129.05447:6915 129.06944:11417 131.08505:29937 133.10135:21794 135.11688:14314 137.13229:4254 141.07008:4633 143.08549:11317 145.1012:20467 147.11664:12166 149.09624:7112 149.13242:9361 155.08554:4667 157.10074:13288 159.11662:13416 161.132:13117 163.1479:6462 169.10049:8972 171.11674:15486 173.13268:13986 175.147:4957 183.11742:12854 185.13179:11245 187.11224:5541 187.14796:8415 195.11606:5378 197.13297:7654 199.14812:9651 201.16368:8194 209.13187:6681 211.14806:13213 211.25679:3867 213.16345:11854 215.17912:9780 223.14903:8737 223.48042:13192 225.16489:7167 227.17879:16243 229.15845:8843 237.1627:3941 239.23676:11038 244.23801:4516 248.56464:4344 251.17883:5528 257.2464:14034 259.11707:4152 269.22598:7950 283.24332:5149 293.22635:29118 311.23633:25105 313.2738:388967 385.27429:52598 623.50201:11986 646.45599:4454 DG 38:6|DG 18:2_20:4 1911 14.303 658.53949 [M+NH4]+ 0.488 TRUE 10.04 658.54053 C41H68O5 DG XQKXAZZSUMABAU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 43.5 55 100 114.67 8-08-18-2022-POS-Isaac-L05 658.53979:1529066 659.54314:959127 660.5465:191802 50.55425:2174 53.70318:2239 63.80823:2194 69.7329:2353 78.16248:2446 81.06963:4716 85.88516:2547 95.08528:3958 106.34613:2304 119.63699:2469 131.64685:2302 151.03439:2325 161.14752:2686 196.46919:2703 198.0396:2468 210.54672:2653 239.75623:3449 269.22623:3800 337.27469:22653 361.27289:3094 DG 40:6|DG 18:0_22:6 1957 16.303 686.57117 [M+NH4]+ adduct linked to 1961_[M+Na]+ 0.488 TRUE 16.291 686.56805 null null LBDXVTOFXXDOGH-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.6 99.9 null null null 431.24 19-08-18-2022-POS-Isaac-L15 686.57037:4243541 687.57372:2763631 688.57708:701723 54.63208:2779 55.05438:3071 57.03367:7873 57.07006:27332 67.05432:10257 69.06993:6980 71.08546:19436 74.4314:2673 77.23919:2685 79.05393:4882 81.07:13417 83.08553:8018 83.57967:2897 85.10117:14791 91.05415:8049 93.06973:9255 95.08528:20074 97.10113:5637 104.30996:2519 105.06958:8394 107.08515:4196 109.1006:10146 117.06936:3198 119.08529:9431 121.10072:4810 123.11641:4985 129.06944:4213 131.08521:12069 133.10114:5184 135.1169:3317 136.71173:2617 141.06918:3283 143.08549:4028 145.10118:6313 147.11664:4592 157.10075:5621 159.11662:6720 163.11211:2730 169.10049:3794 171.11674:5066 173.13268:6265 175.14825:4136 183.7549:2607 185.13179:3497 201.1637:3949 209.13188:3223 211.14806:6121 223.14725:2958 227.17879:6946 231.88071:2575 285.27829:4497 293.22592:9536 311.23575:9828 330.94434:2487 341.30392:110879 347.54785:3134 385.27478:19222 391.47375:2679 458.17578:2838 669.53723:2939 DG 40:7|DG 18:1_22:6 1955 14.981 684.55438 [M+NH4]+ 0.537 TRUE 14.995 684.5545 null null ZILMKERHGSKQBG-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 99.9 null null null 524.23 17-08-18-2022-POS-Isaac-L13 684.5545:2382027 685.55785:1248484 686.56121:332299 50.01844:2537 55.05439:3555 57.03368:2700 57.07:3031 67.05433:6201 69.06994:10914 73.43296:2770 79.05432:2429 81.06957:9930 82.02339:3397 83.08554:5717 91.05416:3560 93.06974:4817 95.08523:13115 97.10115:7595 99.85062:2466 102.20695:2902 107.08517:3825 109.10123:2516 117.06938:4287 119.08531:3789 121.10074:7068 131.08505:5634 133.10117:3569 135.11606:6049 145.1012:2573 159.11665:3554 172.60555:2608 201.07492:2873 293.22595:4548 303.86523:7795 311.23581:3933 339.28842:50162 385.27432:7554 396.10901:2778 416.94724:2915 DG 40:8|DG 18:2_22:6 1954 13.838 682.53986 [M+NH4]+ 0.927 TRUE 9.77 682.54053 C43H68O5 DG GPMAAGRGFWBOSO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 29.9 78.8 100 375.17 31-08-18-2022-POS-Isaac-S08 682.5401:399076 683.54345:296352 684.54681:32247 57.96186:2379 60.69538:2344 66.90076:2410 67.05436:6685 68.19524:2368 69.06966:4496 73.77059:2443 75.00805:2630 75.48878:2674 76.67859:2780 79.23047:2482 81.06988:11568 91.0542:5126 93.06978:6827 95.08575:9314 104.31116:2513 107.08521:2414 108.87284:2527 109.10127:3141 114.11048:2352 118.76998:2773 119.08535:4880 119.49239:2531 119.85431:2423 121.10079:4050 123.11721:4765 131.0851:3314 133.10121:3579 149.13249:3155 177.16389:3073 183.4612:2839 204.64052:3091 223.94037:4685 337.27448:32443 359.6564:3135 371.64227:2721 385.27448:6353 387.29996:3267 395.93994:3059 409.08099:2664 409.42322:2647 410.68015:3256 425.40057:2556 486.08026:2633 510.40472:2587 515.75104:2817 647.49872:3250 DG 42:6 2004 21.884 719.57263 [M+Na]+ adduct linked to 1998_[M+NH4]+ 0.488 TRUE 12.78 719.55847 C45H76O5 DG DWNBNJDZOMMNHN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 91.4 99.6 56 75 100 142.26 38-08-18-2022-POS-Isaac-S14 719.57196:699598 720.57531:599515 721.57867:185007 50.51386:2700 50.84425:2888 60.6821:2404 63.23255:2839 81.0695:3259 83.08546:3124 93.06965:2760 95.08562:5183 99.60408:2586 109.10113:6021 110.62792:3668 121.10063:3265 122.01139:2534 135.11678:2652 138.15854:2777 147.11653:7542 161.1319:2924 197.78221:2971 204.55385:2923 209.1577:2881 239.60048:2675 327.3476:3344 351.22836:84920 369.35257:2926 384.21259:3073 390.13806:2921 402.62024:2924 458.75507:2989 459.27768:2815 719.56818:192190 DG 48:9 2209 15.078 797.58984 [M+Na]+ 0.439 TRUE 13.06 797.60541 C51H82O5 DG OSLLNONJLPJMRH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 84.7 100 null 75 100 396.37 5-08-18-2022-POS-Isaac-L02 797.58972:2534662 798.59307:1074901 799.59643:258597 55.05926:2618 57.07004:5518 60.08101:11204 62.35127:2616 63.84217:3101 67.05438:6142 67.25822:2919 69.06999:5737 71.0729:4870 71.08544:6609 81.06964:10354 85.10101:3010 86.09626:78729 95.08529:8956 97.70289:2900 104.10677:3288 109.10131:4029 124.99957:21938 126.18444:2773 146.98183:113093 184.0737:616206 185.07654:11926 240.80589:2898 317.43121:3125 349.09406:2745 409.87289:3120 427.00198:3175 603.5351:18133 604.53278:3107 613.44678:3204 625.51306:64632 626.52216:10293 653.88727:3012 656.56116:12540 690.1449:3164 749.5033:35402 786.60205:38135 787.59851:9289 797.62415:4143 DG 50:13 2257 12.499 817.56006 [M+Na]+ ion correlated with 2259; similar chromatogram in higher mz_2259 0.463 TRUE 12.17 817.5741 C53H78O5 DG HNCKBPDFGSWZNP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCC=CCC=CCC=CCC=CCC 420 TRUE TRUE TRUE FALSE FALSE null null 88.6 100 2 75 100 158.28 4-08-18-2022-POS-Isaac-L01 817.56055:702438 818.5639:452692 819.56726:91560 50.37721:3006 53.43716:2375 55.63616:2484 57.07006:2642 63.8025:3095 70.64514:2831 73.30417:2919 76.81832:2587 82.78641:2967 86.09623:31051 89.63228:2835 95.08581:4570 104.10679:3146 121.6896:2893 124.99981:6846 146.98199:24255 175.64848:3399 179.1553:2524 184.07379:170926 185.07658:10056 206.14806:3391 218.43517:20628 222.22171:2827 251.80428:2863 336.12384:2907 345.75363:2864 382.46078:3120 404.14749:4053 556.77032:3117 645.48767:16631 646.492:6543 676.53931:6110 745.4787:3099 758.4845:3443 769.47937:7774 806.56232:4120 817.59308:3119 HexCer 33:1;4O|HexCer 18:0;3O/15:1;(2OH) 2002 12.338 718.53748 [M+H]+ 0.488 TRUE 12.249 718.53583 null null HBKJDXYCKGSVFU-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 90.5 83.3 null null null 225.97 16-08-18-2022-POS-Isaac-L12 718.53796:726973 719.54131:320508 720.54467:87975 55.74319:2382 60.08097:3999 62.3893:3031 86.09632:14454 87.34945:2872 124.99969:8396 136.3709:2778 138.01843:2724 159.10049:2660 168.21754:2826 173.71013:2824 176.72163:2459 182.99117:2586 183.15738:2542 184.07365:217348 207.81828:2568 218.132:2666 219.78175:16137 386.29938:3155 718.53381:3760 HexCer 34:1;2O|HexCer 18:1;2O/16:0 1974 12.831 700.57166 [M+H]+ 0.561 TRUE 9.21 700.5722 C40H77NO8 HexCer_NS VJLLLMIZEJJZTE-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 84.3 85.5 100 358.04 10-08-18-2022-POS-Isaac-L07 700.57166:3364056 701.57501:1546112 702.57837:396328 55.6181:6294 56.04966:4113 60.04452:4058 63.20054:3103 65.19264:2987 67.02844:2703 67.05408:5279 69.06998:3162 77.52467:2828 81.06962:5046 82.06493:6575 83.08559:5857 85.101:2995 85.43914:2997 87.12687:2823 93.0698:2767 95.08527:8256 96.08048:4183 98.5555:3095 105.16454:2884 106.16445:3169 109.10129:3448 111.10118:3332 115.38725:2909 121.10082:7004 126.26892:2503 139.20198:2684 183.80319:2951 191.79849:2565 203.30357:2631 205.62784:2920 225.13786:2360 232.71523:3462 239.72632:2916 247.24066:4498 252.26814:57470 256.26352:15650 264.26862:646648 282.27881:63300 317.96921:3300 490.49957:7984 502.50006:36592 504.51395:8430 520.50598:83863 613.38959:2832 682.55908:39311 HexCer 38:1;2O|HexCer 18:1;2O/20:0 2093 15.839 756.63361 [M+H]+ ion correlated with 1760 0.488 TRUE 11.38 756.63483 C44H85NO8 HexCer_NS DFELABABMXOKTD-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 40.1 84.8 100 144.08 5-08-18-2022-POS-Isaac-L02 756.6333:658479 757.63665:409893 758.64001:102887 51.62765:2480 54.63994:2831 57.07005:2579 59.35446:2452 63.98535:2541 67.05409:3513 71.08544:5127 71.46887:2408 77.67955:2632 85.10102:4430 86.0962:11339 95.08529:4182 96.36525:2632 99.29122:2709 106.64406:2643 120.24198:2733 121.21108:3371 146.98199:29722 147.25769:2562 168.52257:2572 177.83549:2573 184.07385:36587 190.69684:2602 220.11542:15398 236.67747:2421 252.26816:9221 264.26889:126474 282.27881:11604 284.5686:2545 312.32947:3943 437.16428:3400 546.56024:3483 551.50464:3955 558.55872:8424 560.57666:4561 573.48425:11307 576.57019:16989 697.47278:11194 738.62219:18780 756.54956:22997 HexCer 40:1;2O|HexCer 18:1;2O/22:0 2176 17.254 784.66516 [M+H]+ 0.512 TRUE 12.4 784.66608 C46H89NO8 HexCer_NS YIGARKIIFOHVPF-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 75.7 84.8 100 663.05 21-08-18-2022-POS-Isaac-L17 784.66516:7692635 785.66851:4720993 786.67187:1729867 55.05438:10617 56.04967:28842 57.07004:35766 60.04455:21431 64.54:5532 67.05435:27477 68.26175:6047 69.06996:15567 70.06504:6049 71.07282:7921 71.0854:27476 79.05401:17900 81.07001:39321 82.06492:49690 83.08555:20403 85.02848:10332 85.10092:14940 86.09618:68975 93.06985:15548 95.08521:40044 96.08039:12551 97.10112:15129 107.08514:7665 109.10102:18183 111.11679:7064 121.10081:22186 123.11639:10427 124.35027:9309 124.99964:12827 128.46233:4159 135.11691:17216 146.98174:125098 184.07356:263477 185.07634:8503 211.20567:5496 247.24251:11243 250.25183:4496 252.26793:261716 264.2684:2746982 265.25119:6290 266.28381:14531 282.27853:268743 283.26117:4705 340.35699:55090 444.33084:9661 574.59259:29716 579.53241:18905 586.59094:150355 588.61005:44939 601.5127:28897 604.60449:268859 725.51239:29129 764.18933:4416 766.65656:141033 784.58258:32900 HexCer 41:1;2O|HexCer 18:1;2O/23:0 2210 17.917 798.68176 [M+H]+ adduct linked to 2265_[M+H-H2O]+ 0.488 TRUE 12.87 798.6817 C47H91NO8 HexCer_NS SJGWLQDELUWRDA-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 67.3 89.6 100 117.36 14-08-18-2022-POS-Isaac-L10 798.68158:1979202 799.68493:1604854 800.68829:946807 54.06539:2714 57.07025:3961 70.23445:2620 76.3907:2785 82.06531:3521 83.08516:3441 83.75801:3065 86.09659:7722 95.08574:4238 99.55512:2695 109.10126:3850 121.10078:5651 124.99972:2732 155.40854:2973 183.39717:2944 184.07353:65617 223.53435:9869 225.14687:2766 246.75716:2589 250.25398:21045 252.2679:26376 264.26831:285332 278.28394:5648 282.2785:25843 336.41821:3010 354.37338:5168 390.1799:2877 417.64288:2800 490.36533:2790 491.17068:2605 588.60931:3571 600.35742:2819 600.61005:19290 602.62213:5959 609.68768:3336 618.61749:36471 748.79987:3012 780.66949:19079 798.6405:4161 HexCer 42:1;2O|HexCer 18:1;2O/24:0 2252 18.528 812.69739 [M+H]+ ion correlated with 1860; ion correlated with 75; ion correlated with 218; similar chromatogram in higher mz_2288 0.561 TRUE 13.05 812.69739 C48H93NO8 HexCer_NS POQRWMRXUOPCLD-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 73.8 84.2 100 299.25 22-08-18-2022-POS-Isaac-L18 812.69672:3240140 813.70007:9028730 814.70343:9512454 51.93965:3039 54.69:7716 55.58645:8088 56.04961:6340 57.06999:9005 60.04447:10699 64.54001:3242 67.05432:6808 69.06993:6252 71.08537:5778 74.26999:3259 76.31724:2935 77.78395:4151 79.0543:3599 81.06956:11076 82.06487:9652 83.08512:4103 85.02808:3070 85.10093:3886 86.09611:10146 93.06972:5704 95.0852:9886 97.10113:5321 97.50094:4138 98.47354:3511 104.10724:3677 106.30602:4791 107.08575:4606 109.10121:4956 109.61441:3323 111.10738:3292 121.10072:9678 123.11641:4148 124.99966:4656 132.41306:3458 135.11688:4781 146.98167:5468 153.62993:3080 156.02701:3048 159.72061:2960 184.07356:178680 185.07635:9103 222.20901:12533 247.24255:7190 252.26797:107963 264.26843:1077412 265.25354:2984 266.28384:4914 282.27844:108629 283.46606:4215 315.8913:3323 328.03247:3072 329.25415:3876 342.35498:3299 360.96686:3117 368.38675:21756 420.81738:3363 444.33093:4236 581.02515:3361 602.62183:12937 614.62238:73912 616.64172:14472 627.54138:3600 632.63599:149934 676.49133:3337 708.862:3366 710.974:3382 753.5849:3805 794.6828:116992 800.29034:3657 812.60791:7886 HexCer 42:2;2O|HexCer 18:1;2O/24:1 2245 17.145 810.68005 [M+H]+ similar chromatogram in higher mz_2283 0.61 TRUE 12.55 810.6817 C48H91NO8 HexCer_NS PPSREVDUNDPZIG-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 38.4 82.4 100 979.57 21-08-18-2022-POS-Isaac-L17 810.67944:4363518 811.68279:2881060 812.68615:1419083 54.69:11052 55.05447:16918 55.58867:4253 56.04959:16647 57.07005:39781 60.04446:10726 60.08094:6610 64.54:4504 67.05433:32764 68.26174:4890 69.06999:35162 71.04902:3673 71.07287:30874 71.08548:37177 76.60794:3885 79.05429:5952 81.06996:50472 82.06494:16918 83.08558:41927 85.10103:32892 86.09616:302249 93.06971:12317 95.08524:62132 97.1012:36503 97.19106:6998 97.37907:4113 107.07681:7091 107.08573:10549 109.10119:39247 111.11701:16448 121.10087:27405 123.11641:16961 124.99964:12011 135.11682:22817 137.13226:7516 146.98169:825358 149.13239:6271 154.60867:3429 163.14787:5352 164.99239:4565 165.16316:4431 184.07352:417506 188.00845:6749 202.16441:3796 221.20952:14305 225.66081:4282 247.24251:15190 252.26768:156933 264.26822:1546614 265.25351:12416 266.28381:13136 267.26852:9060 282.27835:170322 349.34592:7689 366.37219:6182 411.95605:4277 444.33588:4896 467.25339:26419 467.35046:4905 469.27081:7424 506.36182:6508 600.60956:17050 605.54669:125861 612.60687:107681 614.62195:25417 627.5329:301526 628.53827:4342 630.61591:205768 751.52405:189858 762.8869:3632 773.72375:3642 792.66516:105201 810.59753:327728 HexCer 42:3;2O|HexCer 18:1;2O/24:2 2239 15.935 808.66406 [M+H]+ 0.439 TRUE 11.73 808.66608 C48H89NO8 HexCer_NS HERULGHEQVQXKL-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 6 80.5 100 47.56 11-08-18-2022-POS-Isaac-L08 808.66437:557092 809.66772:362781 810.67108:103710 51.33043:3179 54.53125:12815 55.05442:4039 56.04965:6776 57.07003:28010 57.21774:3247 60.2624:3350 66.67341:7721 67.05409:29457 69.06999:15394 70.60274:3604 71.0729:25053 71.08548:23795 72.24409:7322 78.08129:3831 79.05398:7532 81.06963:52069 83.08518:15511 85.06476:3727 85.10103:22154 86.09622:276122 90.31207:3204 93.06979:11514 95.0853:57186 97.1012:14140 99.39697:3142 105.06965:4453 107.08523:3682 109.10121:26543 111.11689:7997 119.08537:3523 121.1008:9504 123.11656:17210 124.99975:3589 133.10123:7499 135.11697:6414 137.13239:3742 146.98177:690665 147.11674:3756 151.14803:3313 161.13213:3190 163.14801:4530 164.99252:6502 179.5433:3026 184.07361:165742 185.07649:11616 188.00862:3557 189.7041:3635 196.09422:3319 214.25536:3448 215.51514:3231 216.99298:45139 250.83533:3178 252.2681:13743 262.25314:10499 263.23618:8684 264.2684:129033 267.26874:5100 281.03036:3056 282.27792:15114 446.66821:6196 465.23639:24049 469.27121:6512 502.3251:5757 553.63806:7434 599.4978:6149 603.53595:105994 610.59387:12007 614.54913:3705 625.51306:342292 628.59717:17684 651.5329:5766 749.50452:198374 790.65649:8614 799.89001:4047 808.58228:344578 HexCer 42:3;3O 2231 17.257 806.64612 [M+H-H2O]+ 0.488 TRUE 11.18 806.65039 C48H89NO9 HexCer_HS XPTSTNNXKRVLFP-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 81.7 99.8 65.7 43.1 92.9 274.32 16-08-18-2022-POS-Isaac-L12 806.64612:1917191 807.64947:1217074 808.65283:327944 54.26331:2970 55.80893:2970 59.67283:2775 62.77037:2914 84.29673:7824 86.09623:23636 87.97197:2656 96.19833:2742 102.12768:4194 116.418:4952 124.99969:5243 125.69122:2926 146.9817:9095 153.34109:2851 156.85689:3181 183.74825:5848 184.07361:278050 185.0764:3993 228.48775:2950 279.75494:2817 303.86523:13194 387.29163:3324 431.19565:3215 623.49384:4077 626.58905:3812 644.58966:8018 674.77576:8914 806.64777:753917 HexCer 43:3;3O 2265 17.914 820.66211 [M+H-H2O]+ adduct linked to 2210_[M+H]+ 0.463 TRUE 11.87 820.66608 C49H91NO9 HexCer_HS APHYYNZPPQDKHI-UHFFFAOYSA-N O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCC=CCCC=CCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 82.8 99.8 71.6 44.4 92.9 252.67 9-08-18-2022-POS-Isaac-L06 820.66211:1640385 821.66546:975025 822.66882:254237 51.74693:3015 52.23653:2762 62.82811:2616 64.73673:2974 75.54658:3094 78.06427:4450 78.06649:3882 86.09619:4180 91.59861:2719 102.12774:5913 104.18548:3003 117.91029:4802 143.09113:2853 146.9818:3237 184.07375:31704 203.05321:6514 221.66255:5126 221.67496:8708 281.5191:3020 303.88531:4048 383.17636:2850 442.50684:5043 566.88464:3112 640.60278:6536 658.60675:8215 682.82635:2950 735.61298:3138 802.65387:4052 820.66351:734461 LPC 15:0/0:0 1515 5.774 482.32315 [M+H]+ 0.634 TRUE 5.98 482.3241 C23H48NO7P LPC RJZVWDTYEWCUAR-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 59.2 93.1 100 123.31 7-08-18-2022-POS-Isaac-L04 482.32339:1042926 483.32674:364193 484.3301:68739 50.2542:2075 50.47735:2372 51.06967:2262 51.26397:2211 51.5765:2175 55.38815:2060 57.07004:2453 59.37679:2236 60.081:5848 67.15027:2064 69.56783:2806 86.09628:15789 104.10678:91104 104.73688:2147 118.4116:2296 124.99977:9010 184.07365:109702 208.77698:2316 224.8625:5698 244.15013:1990 299.25824:4384 382.33221:7319 464.31244:8837 482.3226:40003 482.41949:9275 LPC 16:0/0:0 1576 7.007 496.33896 [M+H]+ adduct linked to 1664_[M+Na]+ 0.976 TRUE 6.21 496.33981 C24H50NO7P LPC ASWBNKHCZGQVJV-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 71.7 93.5 100 3745.59 28-08-18-2022-POS-Isaac-S05 496.33902:17709640 497.34237:9530652 498.34573:1467136 50.47751:2337 52.99182:2247 57.07001:6159 60.08098:38839 62.1669:2691 63.21751:2605 71.07285:5061 71.08572:8967 71.10181:6272 74.907:2773 85.10096:4285 86.09659:97831 91.41062:2589 95.08523:5621 102.24192:2591 102.64545:2548 104.10672:662397 109.10124:4474 109.4354:4199 112.64264:2395 120.56459:2786 124.99968:43885 163.01492:4679 171.37544:2448 181.02586:2447 184.07356:765116 196.7236:2392 199.03659:2801 222.80772:6799 258.11029:11651 313.27292:23180 354.38049:5038 370.99692:2803 372.38168:4293 419.25562:3804 478.32739:73491 496.34146:285207 LPC 16:1/0:0 1561 5.461 494.32346 [M+H]+ ion correlated with 1562 0.512 TRUE 5.86 494.3241 C24H48NO7P LPC LFUDDCMNKWEORN-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 72.2 93.3 100 464.85 35-08-18-2022-POS-Isaac-S11 494.32355:2258027 495.3269:637976 496.33026:96439 52.04306:2809 58.06024:2397 59.5145:2305 60.0809:22046 62.62802:2683 68.5792:2316 69.58145:3987 69.58332:4939 71.07312:2854 71.65042:2241 86.09655:62657 91.29946:2647 95.08566:3032 104.10662:349411 105.72296:2264 106.75928:2572 116.16683:2329 117.23471:2588 124.9995:24054 126.37623:2231 131.02779:2626 132.63739:2283 154.73978:2376 163.01591:3591 179.37148:2971 184.07336:442812 223.83224:2491 228.86441:2502 258.11011:5588 311.25919:6483 345.90842:2331 476.31189:39544 494.32306:143327 LPC 17:0/0:0 1636 7.095 510.35544 [M+H]+ 0.976 TRUE 6.4 510.35541 C25H52NO7P LPC SRRQPVVYXBTRQK-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 68.5 93.4 100 552.93 5-08-18-2022-POS-Isaac-L02 510.35583:2734538 511.35918:1174215 512.36254:171636 57.07004:3805 59.0605:2959 60.08103:27920 67.33171:2728 69.57002:7207 71.0729:3667 71.08544:4702 71.85149:5066 86.09623:79854 98.54711:2718 102.12776:5646 104.10677:433121 109.10131:4359 124.99972:25898 129.00426:2673 163.01501:4347 184.07364:513508 217.81085:9531 217.82466:13362 234.73689:2432 258.11047:8018 267.93384:2980 303.86545:5993 327.29028:14525 402.13568:2868 425.36307:2552 433.27017:5881 448.03458:2735 468.81876:2615 492.34192:46399 510.35538:173786 LPC 17:4 1604 6.111 502.2923 [M+H]+ 0.463 TRUE 4.9 502.29279 C25H44NO7P LPC ZHKPTUQHATYCMG-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 38.8 52 100 118.41 38-08-18-2022-POS-Isaac-S14 502.29178:2135667 503.29513:656981 504.29849:115462 62.06015:9784 63.29035:2164 67.05427:8407 68.70954:2551 71.07283:12635 73.41702:2604 76.89268:2223 76.97309:2238 81.06996:14363 82.46935:3834 86.09616:96162 91.05408:4376 91.58529:2625 93.06965:4258 95.08519:12173 98.01139:2318 105.0695:2817 107.08567:4356 109.10112:4638 112.20421:2369 119.0852:2367 123.11705:2621 124.99975:20182 133.10103:2318 135.11678:2661 156.05933:2390 163.01598:38137 167.22395:2231 181.02567:6439 184.07352:10724 186.95831:2651 217.71492:28191 233.71664:2323 277.42584:2539 313.49664:2550 330.27933:3331 336.40454:2476 348.5654:2549 361.27356:19496 366.94104:2400 382.45203:2609 387.52866:2294 393.56903:2278 443.25699:20948 497.88785:3008 502.33035:202191 LPC 18:0/0:0 1685 7.995 524.36981 [M+H]+ adduct linked to 1735_[M+Na]+ 0.976 TRUE 6.73 524.37109 C26H54NO7P LPC IHNKQIMGVNPMTC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 72.9 93.7 100 2248.66 28-08-18-2022-POS-Isaac-S05 524.37128:15480625 525.37463:6770581 526.37799:1079363 57.07:17059 58.06574:8571 60.081:111323 60.38611:4785 63.08658:5074 64.84644:4920 65.97865:6787 69.56748:11156 71.07285:18809 71.08539:15385 72.58277:11211 74.02154:4772 77.30703:4619 81.06958:6660 82.96818:4639 85.10096:10541 86.09619:357469 95.08522:9668 97.10116:6160 104.10676:2005068 109.10124:7477 115.43378:6844 124.99973:125887 126.52439:4834 163.01602:17131 184.07364:2395530 196.75914:5157 199.03658:6706 206.83118:4517 222.70598:8755 222.71848:13279 232.69221:4761 239.44353:4657 258.11066:34327 270.22:4863 290.82581:5320 323.25687:4905 330.10251:5578 341.30331:55223 353.46194:4424 360.91174:5084 372.39325:5690 406.60059:4489 423.33099:10789 423.35904:5297 447.2869:15735 500.54678:5339 506.36224:248729 524.37122:879086 LPC 18:1 1680 6.572 522.35455 [M+H]+ 0.976 TRUE 6.628 522.35425 null null YAMUFBLWGFFICM-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.7 93.5 null null null 3129.09 23-08-18-2022-Pos-QC02 522.35461:14310782 523.35796:6110952 524.36132:1007689 50.64153:2260 51.35192:2302 57.39841:2496 58.06454:2974 60.08102:34960 60.16905:2624 66.99246:2522 70.29575:3008 76.04882:2878 82.63207:2535 83.01321:2593 85.96675:2537 86.0962:143336 96.07232:2540 104.1067:31604 118.05259:2621 121.10143:2914 124.99971:68416 126.98859:2236 139.40486:2781 144.61359:2446 145.75829:2660 168.97426:3112 184.07353:1756122 184.30972:2983 195.2522:2803 217.80202:10199 217.8141:17670 258.1102:3836 303.89075:4426 339.28824:6888 386.57657:2750 451.2843:2764 504.34229:19527 510.92477:2714 522.35211:57966 LPC 18:1/0:0 1681 6.786 522.35474 [M+H]+ similar chromatogram in higher mz_1722; similar chromatogram in higher mz_1792; found in higher mz's MsMs_1792 0.976 TRUE 6.835 522.35382 null null YAMUFBLWGFFICM-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.5 97.1 null null null 14992.55 23-08-18-2022-Pos-QC02 522.35449:23494430 523.35784:10311389 524.3612:1612103 52.7775:8353 55.0546:8070 57.07022:12654 58.06572:8898 60.08096:223007 63.65549:6497 65.97834:8143 67.05431:8188 67.25134:6668 69.06992:16644 69.57213:15660 71.07314:28384 71.08537:7789 72.47863:18505 81.06994:17468 81.58015:6717 83.08552:21194 86.09654:664996 95.08569:27669 97.10112:14158 103.59254:7566 104.10666:3434409 106.12092:8034 115.22564:15356 121.10071:7792 123.11713:7294 124.99964:248696 135.11687:11231 137.87837:8152 147.34966:6707 149.53206:8001 163.01596:16137 181.02708:7530 184.07346:4184923 186.50642:7014 217.81226:70821 240.09914:9728 258.11047:63923 323.89413:7046 339.28802:88470 423.33084:19471 445.27255:26773 504.34329:402785 522.35217:1271854 LPC 18:2/0:0 1676 6.017 520.33887 [M+H]+ adduct linked to 1726_[M+Na]+; found in higher mz's MsMs_1791; found in higher mz's MsMs_1679 0.976 TRUE 5.97 520.33978 C26H50NO7P LPC SPJFYYJXNPEZDW-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 72 93.6 100 42299.53 33-08-18-2022-POS-Isaac-S10 520.33881:393820448 521.34216:162027168 522.34552:28664158 60.081:382124 69.58305:78891 71.07284:40801 72.37442:63246 76.30866:35648 79.74361:40685 81.06957:57664 86.09654:1188853 95.08521:52316 104.10665:7431368 106.58901:35178 109.46672:50085 123.42425:41320 124.99962:387562 163.01376:40129 164.47716:35700 184.07341:8225269 219.67406:235968 233.46962:35000 256.21524:34308 258.11026:161619 303.8652:37288 337.27429:137513 340.80972:53675 372.18497:69000 372.2081:47816 417.69312:38798 443.25198:53605 469.04184:39237 502.33038:890234 520.33905:3488338 LPC 18:3/0:0 1666 5.297 518.32306 [M+H]+ similar chromatogram in higher mz_1728 0.463 TRUE 5.74 518.3241 C26H48NO7P LPC WKQNRCYKYCKESD-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 69.4 93.5 100 380.64 42-08-18-2022-POS-Isaac-S18 518.32452:1638696 519.32787:500248 520.33123:84648 59.06042:2747 60.08104:22134 67.05428:3443 69.58238:8779 78.97622:2471 79.05389:2472 80.14837:2348 86.09621:49513 87.30908:2407 89.27511:2277 99.04404:3204 104.10674:253833 123.08115:3025 123.11634:3217 124.99976:18592 125.09568:2338 150.48767:2187 174.22855:2290 184.07355:301426 195.99379:2338 223.72441:4453 223.73518:3312 258.11008:4674 335.25827:3545 439.77078:3087 500.31195:31221 518.32526:95090 LPC 19:0/0:0 1717 8.119 538.38623 [M+H]+ 0.976 TRUE 7.09 538.38672 C27H56NO7P LPC WYIMORDZGCUBAA-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 72.2 93.3 100 194.18 29-08-18-2022-POS-Isaac-S06 538.3866:1158281 539.38995:506070 540.39331:0 51.09611:2552 59.12241:2447 59.67136:2189 60.08098:9522 65.41755:2356 65.56065:2226 67.29522:2511 69.56563:2605 69.5675:4263 78.70011:2937 78.77137:2278 83.33579:2311 86.09625:28039 101.91088:2632 102.12162:2626 102.12771:4610 104.10687:186670 106.70079:2659 110.37366:2311 124.99973:6480 130.33745:2651 136.61746:2317 137.65364:2432 162.57898:2652 184.07375:235243 206.45493:2492 223.57204:2231 242.63763:2216 258.11035:5681 275.05035:2394 288.21063:2707 297.06656:2526 303.8909:4926 355.32068:7275 513.12671:2678 520.37854:29381 538.38763:123661 LPC 20:0/0:0 1749 8.555 552.40222 [M+H]+ 0.659 TRUE 7.33 552.4024 C28H58NO7P LPC UATOAILWGVYRQS-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 72.4 93.6 100 136.9 37-08-18-2022-POS-Isaac-S13 552.40222:2526355 553.40557:1054546 554.40893:177382 50.61771:3837 60.08093:24017 65.5486:2630 69.58299:8118 71.46746:2419 73.99105:4039 86.0965:71664 94.63531:2697 102.12759:8028 104.10715:358754 124.99949:25858 184.07333:494569 218.38277:15560 218.39664:8294 256.11157:2876 258.11002:7239 350.33975:2867 369.33713:12475 466.435:2693 475.32007:3081 534.39191:49649 552.40143:166157 LPC 20:1/0:0 1747 7.773 550.38672 [M+H]+ 0.976 TRUE 7.792 550.38538 null null YYSFWGQAKJTHRE-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 207.56 20-08-18-2022-POS-Isaac-L16 550.38531:478352 551.38866:213996 552.39202:39411 51.64911:2234 54.18292:2471 55.9848:2363 60.0807:7647 67.31326:2668 69.57058:3349 76.42472:2275 82.41356:2683 86.09626:14583 102.12821:3034 104.10675:61419 124.99966:5355 156.91805:2413 184.07362:95490 185.42014:2460 189.06601:2617 201.23415:2375 217.84171:20086 232.21275:2640 250.58371:2371 289.35376:2632 310.85001:2719 382.44431:2839 401.13287:2795 532.37616:4994 550.38702:24374 LPC 20:2/0:0 1744 7.096 548.37006 [M+H]+ 0.756 TRUE 7.128 548.36975 null null YYQVCMMXPIJVHY-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.9 99.9 null null null 243.89 43-08-18-2022-Pos-QC04-S 548.37012:1213169 549.37347:573562 550.37683:99268 55.01841:2442 58.41186:2457 59.65967:2580 60.08095:27086 67.28477:2818 68.19395:2283 69.58394:8395 69.58612:3723 71.85595:2517 71.87296:2623 77.23478:2576 78.55855:2448 81.06951:3709 86.09615:62333 86.32858:2630 95.08514:2960 100.64098:2407 104.10667:313585 124.99978:27827 176.74294:2368 184.07343:374966 185.87082:2192 200.20518:2299 218.40359:3727 218.41573:20216 222.74149:2587 230.09596:2643 235.33034:2763 258.11008:6997 365.30527:5002 504.40985:2459 530.35693:31331 548.36798:116668 LPC 20:3 1737 6.292 546.35498 [M+H]+ 0.634 TRUE 6.1 546.35541 C28H52NO7P LPC XUDGAAFUMTTZCO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 62.3 71.7 100 437.65 4-08-18-2022-POS-Isaac-L01 546.35516:2119652 547.35851:1077933 548.36187:191533 53.10988:2626 60.08078:5746 73.87176:2502 74.42011:2404 75.944:2415 79.86424:2271 80.32602:2454 86.09637:23664 92.71415:2061 94.73886:2013 104.10679:4537 105.85162:2371 124.99981:8066 145.64612:2335 166.85461:2506 184.0739:264633 190.09048:2422 200.23444:2663 221.66972:2430 224.83905:6581 250.90797:2979 285.30707:2597 323.46317:2881 393.08405:2763 528.3446:4731 546.3548:11089 LPC 20:4 1731 5.796 544.3382 [M+H]+ adduct linked to 1765_[M+Na]+ 0.976 TRUE 5.86 544.33978 C28H50NO7P LPC GOMVPVRDBLLHQC-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 71.2 74.8 100 3236.88 32-08-18-2022-POS-Isaac-S09 544.33826:6687198 545.34161:2750723 546.34497:477098 56.36746:2779 58.06598:4290 60.08081:28570 64.16703:4921 64.16924:5732 67.24279:8603 68.00036:2817 71.22717:2632 86.09627:117344 104.10685:41146 105.06961:4035 107.8645:2784 108.35325:2870 110.16541:2857 114.3326:2465 121.43338:2525 124.99973:51785 134.3396:3024 146.9819:19652 159.43607:2952 171.52608:2720 184.07361:1996750 188.5786:3150 224.34021:5722 258.07248:2946 258.11032:5455 301.62579:2650 339.28165:7268 384.8161:2934 438.1322:2925 484.25024:4123 485.25085:14281 526.32831:28334 544.33771:120860 LPC 20:4/0:0 1732 6.017 544.33948 [M+H]+ adduct linked to 1764_[M+Na]+ 0.537 TRUE 6.086 544.33789 null null GOMVPVRDBLLHQC-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 94.9 89.8 null null null 14326.18 43-08-18-2022-Pos-QC04-S 544.33795:70619744 545.3413:32932092 546.34466:5762815 50.39248:38145 50.8143:20645 60.08094:494367 60.5122:20052 65.9783:23348 67.05427:42450 71.0731:85132 73.59294:60590 75.44329:19388 79.05387:20086 81.06951:26186 86.09651:1451030 91.05409:56173 93.06966:31510 95.08514:43158 104.10662:6681096 105.06951:35196 107.08568:23704 109.46971:27852 119.08521:53691 124.99957:561037 126.15305:25295 133.10104:24266 135.80067:26024 176.98029:20049 181.02568:60694 182.36014:19916 184.07336:7868622 217.79671:109432 217.80878:122145 258.11032:116101 298.61966:22686 328.8342:22687 341.04263:23107 371.07712:22470 372.16541:67356 485.25235:44748 526.32892:675161 544.3371:2557921 LPC 20:5/0:0 1728 5.285 542.32361 [M+H]+ 0.488 TRUE 5.52 542.3241 C28H48NO7P LPC PDIGSOAOQOXRDU-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 69.6 92.8 100 419.64 27-08-18-2022-POS-Isaac-S04 542.32404:3133037 543.32739:1149369 544.33075:250110 50.33554:5468 60.08098:44374 67.05404:4059 67.3281:2566 69.56935:4069 71.07284:7501 73.25393:2614 73.29601:2592 73.49279:3852 79.05432:4525 81.12681:2527 86.09616:118985 93.06974:3098 102.12768:3802 104.10672:536003 105.04243:3153 105.0696:4420 109.43538:5000 117.97897:2425 123.07978:3638 124.99968:39938 129.57794:2880 181.02583:5068 184.07355:664110 217.57793:26743 219.10716:2879 258.11026:9164 262.34195:2665 323.37854:2442 329.78723:3195 372.38165:4584 468.80203:2778 524.31262:53939 542.32532:183438 LPC 22:5/0:0 1776 6.325 570.35449 [M+H]+ 0.488 TRUE 5.96 570.35541 C30H52NO7P LPC BIEOSECQPGGZMF-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 70.2 92.6 100 197.62 29-08-18-2022-POS-Isaac-S06 570.35498:997003 571.35833:565709 572.36169:111824 54.06582:2272 59.06072:2592 60.08104:23706 60.13977:2329 62.32482:2332 65.2503:2480 67.05406:3120 69.56875:8480 70.66614:2735 79.9236:2559 86.09625:59280 91.49561:2461 93.06977:3002 95.08574:2691 104.1068:272746 105.9153:2603 107.5501:2470 124.9998:27879 163.05853:2829 173.13277:2469 184.07368:344923 196.71475:2589 222.86311:9387 258.11035:3910 339.57373:2627 544.55585:2723 552.10974:2674 552.34692:26528 570.35657:93887 LPC 22:6/0:0 1772 6.265 568.33813 [M+H]+ 0.463 TRUE 5.67 568.33978 C30H50NO7P LPC LSOWKZULVQWMLY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 66.5 93.3 100 165.06 41-08-18-2022-POS-Isaac-S17 568.33813:1303363 569.34148:699559 570.34484:400010 52.37658:2744 54.61472:2589 56.58452:2309 60.08092:4080 62.00928:2124 69.57802:4816 79.72406:2450 86.09648:18221 94.43303:2762 95.20571:2481 104.10667:98606 104.20532:2488 105.80118:2652 121.43973:2200 125.00034:3601 129.26006:2520 130.68227:2941 145.82625:2539 184.07347:151266 219.68265:2472 220.06242:13356 232.30573:2624 281.97311:2622 322.94485:2690 373.65369:2459 395.78308:2623 420.20151:3057 550.33044:13708 568.33667:46674 LPC O-16:0 1518 6.977 482.35989 [M+H]+ 0.488 TRUE 7.019 482.35892 null null RKKJZVVEVRCBJA-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.7 99.5 null null null 131.35 43-08-18-2022-Pos-QC04-S 482.35959:1462128 483.36294:535352 484.3663:128187 56.32608:2065 58.06522:3815 59.02486:2604 60.08092:5937 62.06016:2888 62.31974:2093 69.58456:3327 69.58674:4981 74.70996:2059 81.5999:2240 86.09649:10272 87.8856:2361 104.10664:148191 108.37495:2440 116.16547:2372 123.11634:3082 124.99959:6652 140.14281:4637 179.60509:2205 184.07341:19109 191.60873:2627 202.10725:2828 209.22108:2455 217.96764:10379 217.97974:11090 221.2377:2362 283.26364:3382 314.99484:2398 335.7597:2589 338.81552:2292 340.32031:5408 350.9425:2594 384.04697:2281 481.87103:10934 482.36075:58783 LPC O-18:1 1629 7.212 508.37485 [M+H]+ 0.561 TRUE 7.252 508.37405 null null LGYDTKYITBAFRQ-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.9 99.1 null null null 98.17 43-08-18-2022-Pos-QC04-S 508.3757:365736 509.37905:137314 510.38241:23726 60.08092:3585 69.58518:5986 76.84024:2169 77.57773:2295 79.38317:2199 86.0964:11470 96.85398:2385 101.15237:2133 104.06101:2479 104.10664:134374 112.81988:2308 124.99959:6402 146.42361:2620 159.56461:2528 159.57217:2633 184.07335:17093 196.40685:2362 217.81053:4736 217.82433:20144 220.94122:2500 273.38281:2458 508.37421:57254 LPE 16:0a 1421 6.598 454.29251 [M+H]+ similar chromatogram in higher mz_1748; similar chromatogram in higher mz_1807; adduct linked to 1484_[M+Na]+ 0.976 TRUE 6.658 454.29181 null null YVYMBNSKXOXSKW-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.6 97.2 null null null 909.89 43-08-18-2022-Pos-QC04-S 454.29199:5022163 455.29534:1605362 456.2987:247142 55.1734:2223 57.06996:5832 57.47549:2210 62.06021:15648 65.01096:2489 71.08534:5564 73.09897:2521 85.10089:2802 89.05952:2144 95.08565:4635 100.54729:2123 109.10115:2576 155.01083:3307 177.67747:2154 187.04208:2261 207.42949:1954 209.5773:2550 222.55246:4319 222.56493:4439 223.00761:2568 247.12978:2203 254.08638:2306 282.27838:8528 313.27332:78074 334.58707:2385 337.23749:2303 393.2424:4594 436.2818:2903 LPE 16:0b 1420 7.111 454.29242 [M+H]+ 0.537 TRUE 7.081 454.29074 null null YVYMBNSKXOXSKW-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.8 98.8 null null null 185.25 13-08-18-2022-POS-Isaac-L09 454.29233:791346 455.29568:350026 456.29904:67024 52.37522:1976 54.92505:2100 58.17374:2076 62.06024:8226 70.16721:2195 71.08542:2531 81.75453:2492 83.99513:2496 92.63987:2297 93.56141:2101 95.08526:3436 98.33841:2346 102.12773:8922 140.39267:2738 144.72482:2022 154.90541:2025 155.10535:2249 185.38908:2595 202.67783:2270 218.82301:18783 235.26476:2252 258.98965:2548 266.681:2099 282.27872:3340 303.88812:4547 313.27341:53414 354.33408:2343 434.9743:2538 LPE 18:0a 1517 7.711 482.32343 [M+H]+ adduct linked to 1617_[M+Na]+ 0.976 TRUE 6.82 482.3241 C23H48NO7P LPE BBYWOYAFBUOUFP-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 54.2 75 100 1621.14 4-08-18-2022-POS-Isaac-L01 482.32349:22449106 483.32684:10093922 484.3302:1568663 55.05445:3209 57.03374:5836 57.07013:38166 60.77443:2489 62.06009:105071 69.0697:8662 71.08554:38962 80.33568:2775 81.06976:14623 83.08522:7256 85.1012:25677 89.05967:3825 95.08549:23784 97.10124:8629 98.98392:9299 99.11674:3612 102.12778:2920 103.03854:3293 105.72663:2630 109.10145:13766 111.11694:6244 117.74075:2475 123.11655:7933 128.32504:2416 135.44566:3209 137.13245:4695 142.02582:4796 155.01009:29509 173.02164:3803 186.74478:2627 198.05161:6178 202.05672:2403 216.06319:17430 217.74535:2614 222.64909:5692 222.66158:3787 249.25845:2505 267.26651:5683 297.55383:2347 308.2717:2665 310.30972:54788 324.51184:2835 341.30377:553076 421.27258:25078 464.31277:19969 482.32297:8170 LPE 18:0b 1516 8.078 482.32327 [M+H]+ 0.561 TRUE 8.038 482.32245 null null BBYWOYAFBUOUFP-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.7 95.8 null null null 240.64 13-08-18-2022-POS-Isaac-L09 482.32318:2048801 483.32653:989256 484.32989:170251 57.07003:2446 59.22554:2208 60.08099:6834 62.06024:5730 83.08558:3115 85.02853:32586 87.73156:2302 92.89171:2090 102.12773:2796 106.52884:2242 217.61319:26176 310.3096:5210 341.30344:31915 408.38464:2280 482.41953:37708 LPE 18:1 1504 6.88 480.30826 [M+H]+ similar chromatogram in higher mz_1843 0.976 TRUE 6.41 480.3085 C23H46NO7P LPE PYVRVRFVLRNJLY-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 51.7 73.1 100 1035.69 14-08-18-2022-POS-Isaac-L10 480.30786:6810184 481.31121:2601642 482.31457:409094 50.69344:2490 55.05441:4833 57.0337:2980 57.07002:6552 62.06029:98510 67.05435:7004 69.07001:14129 71.92376:2475 76.13223:2333 81.06967:13000 83.08555:13290 86.79861:2600 89.78045:2379 94.71801:2506 95.08529:13920 97.10113:11696 98.98385:4977 100.66168:2557 103.90289:2292 107.08521:4264 109.10151:11295 111.11687:2713 121.10078:10113 135.1161:9699 142.02664:5983 149.13249:3884 155.0101:22275 173.02153:3169 182.16882:2566 189.6732:2539 198.05298:6125 216.06261:13049 218.95287:17708 239.02448:3219 247.24268:3452 265.25336:14074 272.97348:2627 308.29465:42155 339.28845:469196 355.8786:2908 419.25641:17407 449.61667:2594 462.30011:38095 480.3107:26991 LPE 18:2 1492 6.107 478.29288 [M+H]+ similar chromatogram in higher mz_1647 0.805 TRUE 6.13 478.29279 C23H44NO7P LPE DBHKHNGBVGWQJE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 45.9 74.2 100 407.77 7-08-18-2022-POS-Isaac-L04 478.293:1517452 479.29635:617968 480.29971:92638 50.29744:2341 55.05443:2207 57.03372:2675 62.0603:29012 67.05437:6178 69.06998:5601 71.0835:2291 78.3226:2169 81.07002:10224 83.0856:4562 93.0698:4093 95.0859:11986 97.06476:3441 97.10121:3471 107.08584:3004 109.1013:7694 121.10154:3425 135.117:4107 149.13252:2428 155.01105:4156 162.3134:2132 173.02159:2918 183.83798:2218 190.31007:2102 216.06308:2517 221.11264:10715 245.22675:2606 263.23621:6609 301.48538:2473 303.97919:2162 306.27948:9591 337.27466:122397 355.29922:2283 449.94452:2082 460.28391:6108 462.80151:2305 478.29404:4394 LPE 20:4 1603 5.906 502.2919 [M+H]+ ion correlated with 1692; similar chromatogram in higher mz_1692 0.488 TRUE 5.83 502.29279 C25H44NO7P LPE JPNPIRVRGLGTRE-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 35 73.5 100 136.48 9-08-18-2022-POS-Isaac-L06 502.29227:1153694 503.29562:468248 504.29898:66330 54.32992:1994 56.44412:2342 58.7547:2883 67.05437:8000 69.06998:3126 69.35838:2153 73.87037:2251 76.94096:2081 79.05399:5997 80.63955:2431 81.06963:7893 82.80984:2073 91.05422:5684 93.0698:9085 95.08528:8690 97.06476:2649 105.06967:4848 107.08524:2797 109.1013:5254 117.06945:3636 117.90617:2071 119.08539:6629 121.10154:2940 123.08059:2477 128.06088:2161 129.0546:5172 129.07033:2483 131.08514:2760 133.10124:3399 135.2233:2202 145.10036:2866 147.11676:2468 149.46744:2503 157.10088:3715 162.36115:2409 171.1169:2607 178.11969:2316 203.17915:5133 219.0603:13057 219.07422:4527 242.69048:2358 259.68915:2665 269.22623:3146 303.86542:4614 330.67007:2283 361.27316:55599 502.32516:2809 LPE 22:6a 1692 5.902 526.29248 [M+H]+ ion correlated with 1603 0.488 TRUE 5.69 526.29279 C27H44NO7P LPE XEVRBOQZSXWGQO-UHFFFAOYSA-N O=C(OCC(O)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 43.9 74.4 100 322.47 8-08-18-2022-POS-Isaac-L05 526.29272:692270 527.29607:358868 528.29943:48831 50.03538:2841 50.5747:2432 51.62844:2225 58.14804:2657 58.25148:2124 62.05998:2498 67.05448:14279 69.06998:4065 79.05416:12854 81.07002:8992 91.05422:10012 93.0699:11432 95.08528:5856 98.09024:2476 100.6731:2293 103.9985:2340 105.06966:6093 107.08524:7887 119.08538:6614 121.10082:4173 123.11651:2655 131.08514:5339 135.117:2882 145.1013:4558 147.11676:2218 161.09702:2179 161.35086:2292 218.94894:12317 260.56296:2774 343.49384:2730 354.28043:3495 385.27499:79182 408.11017:2514 478.29965:2476 504.74521:2752 526.32935:2460 LPE 22:6b 1691 6.081 526.29089 [M+H]+ 0.488 TRUE 6.131 526.29034 null null XEVRBOQZSXWGQO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.5 96.4 null null null 594.56 43-08-18-2022-Pos-QC04-S 526.29205:3473238 527.2954:1920963 528.29876:309339 50.91674:2285 62.06024:40822 67.05437:12102 69.06989:4001 79.05383:12320 81.06966:10831 81.67513:2462 81.85333:2382 86.09614:20334 89.90194:2330 91.05423:12431 93.06967:10723 95.08515:8965 97.06462:2216 98.98375:6221 105.06952:8265 107.08509:8905 109.10054:4235 117.06929:6618 119.08522:6985 121.10065:4143 124.99959:6424 125.17232:2246 129.07016:2911 131.08495:10061 133.10106:5482 137.24089:2378 139.63834:2827 142.88992:2811 143.08542:3303 145.1011:5598 147.11656:3696 155.08545:2539 157.10066:4053 159.11653:3523 161.13193:2712 163.01477:6630 173.02013:3300 173.13258:2559 174.96167:2626 181.0257:4557 184.07346:3433 187.14648:3133 198.05278:3275 207.63812:2565 216.06277:2660 223.07915:6383 225.16476:2458 227.17867:2513 234.01427:2197 255.24915:2380 270.82404:2593 323.4595:2421 354.27994:8095 385.27451:63161 508.28149:3179 526.3302:35527 LPE O-16:1 1369 7.036 438.29782 [M+H]+ similar chromatogram in higher mz_1618; similar chromatogram in higher mz_1803 0.463 TRUE 7.09 438.2963 null null RRTPYUGIBQLEDN-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.8 94.3 null null null 52.48 23-08-18-2022-Pos-QC02 438.29742:410594 439.30077:168092 440.30413:131317 54.12175:2056 54.99238:2042 57.07:2853 72.77934:2124 74.29509:2164 76.23536:1959 78.46114:1927 80.28808:1997 80.44122:1973 84.08069:2284 89.05957:2154 95.75114:2140 99.52843:2433 100.79731:2430 100.85274:2211 104.86869:2390 119.34172:2274 123.28599:2022 159.28592:2505 168.10162:3908 208.90318:2502 208.91452:2868 209.13515:2305 217.57381:26622 241.75729:2230 266.28363:49424 284.29529:24752 344.28778:2610 364.25827:3614 420.28549:14033 438.2995:26796 LPE O-18:1 1454 8.101 466.32932 [M+H]+ 0.463 TRUE 6.95 466.32919 C23H48NO6P EtherLPE CDONWGCJDDHTLP-UHFFFAOYSA-N O=P(O)(OCCN)OCC(O)COCCCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 65.3 91.8 100 155.4 22-08-18-2022-POS-Isaac-L18 466.32892:410382 467.33227:126611 468.33563:307056 52.05296:2123 58.24642:2288 63.57298:2058 67.84588:2508 77.07367:2466 77.92149:2138 84.08068:3386 93.33587:2471 123.00576:2134 125.80626:2171 133.40831:2321 173.6548:2440 186.39848:2306 222.92732:6214 222.93983:4029 294.31567:54402 312.32675:23588 368.35278:2919 384.3504:3014 396.61304:2433 433.79309:2331 448.3194:9467 466.32867:23190 NAE 5:0 78 0.412 146.11739 [M+H]+ adduct linked to 193_[M+K]+; found in higher mz's MsMs_129 0.683 TRUE 2.08 146.1176 C7H15NO2 NAE NURPOXDFZKXLRW-UHFFFAOYSA-N O=C(NCCO)CCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 47.3 75 100 414.1 10-08-18-2022-POS-Isaac-L07 146.11752:17934506 147.12087:7304933 148.12423:2079630 50.87821:2108 54.7335:4225 54.7348:2966 54.73915:2417 60.05577:13120 60.08103:113849 62.8586:2092 72.06347:2082 72.08062:33001 74.71353:1918 81.58616:3630 81.58853:4292 81.67009:2113 84.04436:25816 84.08074:4930 86.05977:35672 86.09618:3220 87.04401:265518 90.51883:2155 100.07547:4669 104.07027:18191 111.0553:6196 112.11193:8386 116.40121:2459 128.08185:13654 129.06561:2957 129.13884:5573 130.04961:27258 146.08202:4566 146.09242:124809 146.1171:271137 146.16545:3923 PC 30:0|PC 14:0_16:0 1985 12.894 706.53711 [M+H]+ 0.488 TRUE 8.93 706.53809 C38H76NO8P PC RFVFQQWKPSOBED-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 74.9 66 100 1131.46 9-08-18-2022-POS-Isaac-L06 706.53687:5283630 707.54022:2739002 708.54358:767686 58.06458:4006 58.066:6030 60.08106:33677 71.07288:4397 71.40144:3061 73.17796:2646 86.09622:131536 90.30931:3054 91.75126:3029 95.63663:2961 104.10685:17903 116.75187:2673 124.99971:50416 148.74612:3096 183.34789:4706 184.07362:2468689 184.09245:12643 185.07651:12247 186.07803:15620 303.86255:6745 335.16644:2705 359.6235:3178 468.30685:4027 496.34167:3842 595.19537:3100 706.53778:165537 PC 31:0 2006 13.822 720.55328 [M+H]+ 0.488 TRUE 9.24 720.55377 C39H78NO8P PC LLHISNQVRRYJGL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 87.8 99.9 63.1 57.6 100 716.37 15-08-18-2022-POS-Isaac-L11 720.5531:2115593 721.55645:856174 722.55981:209431 50.32136:3949 60.08098:19769 63.85227:5316 67.27151:4796 67.27358:7064 86.09618:85108 100.50842:3060 104.1067:12022 108.56121:3275 124.99976:38654 126.77995:3152 184.07359:1011144 221.24142:10582 244.80048:2756 273.02914:2659 290.72202:3183 317.9021:2856 331.23224:2828 365.11829:2926 496.34149:3301 720.55475:31346 PC 32:0|PC 16:0_16:0 2037 14.55 734.5686 [M+H]+ 0.463 TRUE 9.57 734.5694 C40H80NO8P PC KILNVBDSWZSGLL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 64.5 65.6 100 10951.5 22-08-18-2022-POS-Isaac-L18 734.56812:82620952 735.57147:40705120 736.57483:10220468 50.60943:28763 52.89873:25419 56.0496:26155 57.06998:28862 58.06619:54204 60.08098:635689 63.19887:23303 71.07282:101745 82.84739:23370 85.51839:24090 86.09616:3093971 98.98432:65078 104.10664:319608 108.90449:23852 110.86071:23845 124.99963:1580404 144.87531:29604 183.34908:39767 184.07349:34788392 184.80228:40476 191.66721:26484 222.78442:32212 222.79691:95674 250.47086:25723 377.8096:24683 389.92743:25913 414.92532:25087 478.32727:70496 496.34128:56812 551.50403:32425 573.21094:29219 602.95544:27121 734.56354:1144360 734.85248:24691 PC 32:1|PC 16:0_16:1 2035 13.028 732.55255 [M+H]+ 0.488 TRUE 9.09 732.55377 C40H78NO8P PC QIBZFHLFHCIUOT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 62.4 57.1 100 9162.61 13-08-18-2022-POS-Isaac-L09 732.55292:42605908 733.55627:19932874 734.55963:4571516 53.0144:10800 57.84147:11118 58.06456:17044 58.06599:20551 58.25265:11572 59.29654:12424 60.08099:356211 71.07278:61850 84.76274:10979 86.09616:1471623 98.98438:29508 104.10672:139707 124.99971:715211 131.27623:12881 136.69978:10905 148.44849:10878 184.07356:16078833 184.80238:20361 194.24129:10801 303.86246:17063 329.9996:13236 478.32755:16551 496.3356:28707 502.37936:12158 514.92834:14347 619.7171:13376 732.54889:437017 PC 32:2|PC 14:0_18:2 2029 11.922 730.53723 [M+H]+ adduct linked to 2081_[M+Na]+; similar chromatogram in higher mz_2191 0.659 TRUE 8.57 730.53809 C40H76NO8P PC IWXJKHSPEQSQMD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 63.3 58.6 100 4956.56 12-08-18-2022-Pos-QC01 730.53735:26686804 731.5407:13515874 732.54406:3198442 50.95348:7489 58.06433:17711 58.06599:15155 60.08101:245409 68.71452:7798 71.07283:42427 86.09618:1060079 95.08525:7322 98.98438:23889 104.10669:95368 124.9997:446751 181.8616:8803 183.34785:13699 184.07359:11507057 184.8024:12259 222.74709:17955 222.75957:10502 251.16615:7232 325.10239:10446 375.49866:7715 447.58167:8947 450.2981:12705 468.31219:15187 502.33105:9216 545.12927:8900 547.46649:9102 730.54163:334187 PC 33:2|PC 15:0_18:2 2062 12.547 744.55206 [M+H]+ 0.537 TRUE 8.89 744.55377 C41H78NO8P PC DGBYUHHIADYUMU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 62 56.7 100 1422.8 7-08-18-2022-POS-Isaac-L04 744.55469:9658717 745.55804:5373372 746.5614:1365997 50.05913:3108 51.57809:2723 55.84837:3031 56.43227:3079 57.94482:2731 58.06457:4375 58.06624:7092 58.38918:2673 60.08104:66642 63.81861:3064 68.29663:3601 71.07288:11528 74.78325:2848 77.83595:3852 79.61346:3303 81.6891:2913 86.09623:322546 95.3561:3045 98.93737:3457 98.98387:4563 100.25951:2885 104.10678:33862 105.69449:3288 124.99976:148080 125.81012:3359 134.80473:3555 147.98358:2884 152.61295:3166 154.40057:3042 156.84747:2934 184.07365:3417188 287.46622:4295 307.40756:3286 361.44247:3328 482.32272:6367 520.3335:3449 552.2561:3220 744.55115:90481 PC 33:3 2058 11.826 742.53784 [M+H]+ 0.439 TRUE 8.68 742.53809 C41H76NO8P PC ANLYQBTVVNHOAL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 87.2 100 60.5 55.6 100 83.18 14-08-18-2022-POS-Isaac-L10 742.53827:580713 743.54162:364921 744.54498:71201 51.34227:2544 52.83459:2433 54.14144:2292 56.99488:2457 60.08098:6224 60.47287:2945 61.14485:2686 61.4998:3041 63.82928:2844 63.9123:2535 66.35309:2569 66.55141:2840 74.37149:2721 74.63176:2431 80.98894:2876 86.09627:25219 96.27894:2690 97.02367:2482 124.99972:13619 125.86845:2689 146.98175:2619 148.52037:2760 171.6371:2466 179.79019:2799 184.07368:297481 347.67328:3088 380.19415:3726 691.10907:2914 742.53693:7220 PC 34:1|PC 16:0_18:1 2100 14.689 760.5835 [M+H]+ 0.463 TRUE 9.76 760.58508 C42H82NO8P PC WTJKGGKOPKCXLL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 63.9 59.4 100 27692.57 9-08-18-2022-POS-Isaac-L06 760.58386:272651296 761.58721:137537856 762.59057:36927120 53.72071:94258 58.06434:139889 58.066:161231 60.08105:1706176 71.07288:266949 73.59846:75250 86.09624:8391767 96.59673:95693 98.98387:141381 99.7554:73868 104.10677:836713 124.99976:3837182 138.81134:98162 183.34789:95407 184.07364:102798224 184.80241:137413 265.60889:77778 378.40585:90050 418.68951:74284 459.48444:88237 478.33325:137750 496.34164:215187 504.34967:99065 527.9339:91938 532.62054:78707 540.98553:82071 760.58527:3119607 PC 34:2|PC 16:0_18:2 2097 15.644 758.56982 [M+H]+ 0.463 TRUE 9.3 758.5694 C42H80NO8P PC JLPULHDHAOZNQI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 72.3 67.2 100 204.38 7-08-18-2022-POS-Isaac-L04 758.56982:8457406 759.57317:4352837 760.57653:17312100 51.02385:2948 52.49752:3043 57.07003:7283 58.06458:4190 58.066:6354 60.08105:45942 68.19132:3078 71.07288:6845 71.08542:3687 81.07001:6305 82.62165:3259 83.08558:3005 86.09624:180485 89.15761:3209 92.68248:3163 95.08526:8221 98.9844:5609 104.10684:28435 105.04826:3031 109.57199:3784 119.47417:3107 124.99976:78094 139.15172:3108 156.89705:3207 172.09552:3305 184.07364:3085247 191.54778:2926 205.66582:3282 264.26859:7686 265.27228:8617 303.86252:6157 311.29492:3791 327.2146:3008 338.89297:3242 341.31372:2830 366.42896:2917 367.82608:3291 432.29865:3067 478.32767:5877 496.34167:4559 502.3251:4118 617.55383:34278 751.15936:3609 758.57349:204802 PC 34:3|PC 16:1_18:2 2091 12.061 756.55182 [M+H]+ 0.512 TRUE 8.76 756.55377 C42H78NO8P PC QJWDAOSZZYVBJZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 62.5 57.8 100 18996.9 12-08-18-2022-Pos-QC01 756.55225:107160264 757.5556:52786256 758.55896:13705613 55.26067:30257 55.87862:28147 58.06599:39000 59.07388:31968 60.08101:847295 71.07287:167614 75.05165:26936 79.37148:26441 86.0962:3501894 98.98438:56772 104.10672:381863 112.93974:25903 124.99974:1684359 133.73901:29860 137.16254:27420 175.58841:29297 183.34653:32314 184.07365:41189344 222.96495:89475 476.31235:34209 494.32367:57898 502.32501:34758 756.54895:1124070 PC 34:4|PC 14:0_20:4 2088 11.664 754.53668 [M+H]+ 0.488 TRUE 8.66 754.53809 C42H76NO8P PC BXZPYXMUABUWBT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 61.2 56.3 100 1155.5 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344.75824:3389 425.85785:3801 490.64532:3494 502.33112:4027 508.34363:5141 599.7973:3755 636.82477:3790 695.32202:3592 711.65674:4019 737.54443:3507 770.56958:91303 PC 35:4 2125 11.746 768.55316 [M+H]+ 0.463 TRUE 8.88 768.55377 C43H78NO8P PC SMPKSFPUUIHTHK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 85.2 100 65.4 58.3 90 144.98 6-08-18-2022-POS-Isaac-L03 768.55371:1177896 769.55706:602778 770.56042:125077 50.78018:2632 55.3289:2474 56.17466:2888 60.08076:10259 62.04634:2540 65.76832:2852 70.09975:2601 71.09477:2788 76.70097:2816 85.1824:3379 86.09627:35534 98.09651:4321 104.10676:4040 120.8708:2849 124.99986:22924 144.27357:3064 162.81075:2882 184.07368:457096 201.95338:3150 219.60185:17403 339.80911:2880 741.72327:3361 768.55212:14022 PC 35:4|PC 15:0_20:4 2123 12.317 768.55298 [M+H]+ 0.976 TRUE 8.98 768.55377 C43H78NO8P PC JSXZJOMDSXRJMT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 59.2 55.9 100 751.08 14-08-18-2022-POS-Isaac-L10 768.55292:9548065 769.55627:5347071 770.55963:1569898 52.4037:3120 56.04963:5058 58.06622:7654 60.08097:122224 67.05434:4327 69.06995:5607 71.07314:22746 72.08085:4117 79.72069:3542 81.06998:6020 86.09656:505240 95.08573:7767 97.44982:3371 98.98436:11783 101.70573:4263 104.10665:41374 107.08578:4190 120.67837:3246 123.11718:3949 124.9997:230546 127.42762:3845 135.41679:3480 139.26276:3350 183.34648:4674 184.07359:4932931 184.80371:6656 204.1088:3537 250.9931:3514 299.25809:4865 303.89084:10461 313.41653:3450 360.45578:3542 448.26859:3551 464.31219:5814 482.32257:9175 526.32904:3862 599.50543:8303 764.25769:5278 768.55286:106892 PC 36:1 2186 18.69 788.61597 [M+H]+ 0.488 TRUE 10.73 788.61639 C44H86NO8P PC CAMAMCPXDFKMRI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 86.4 99.7 75.7 44.4 100 184.6 23-08-18-2022-Pos-QC02 788.61578:1919978 789.61913:1067222 790.62249:230217 58.06429:8259 58.06619:12893 60.08096:99999 61.08428:6967 63.1684:3770 71.07285:17312 74.08616:4014 75.06347:3849 80.8252:3494 86.09614:410213 87.09972:37673 98.98431:11071 104.10671:69077 105.11004:8228 124.99964:195778 126.0034:4072 165.0265:3696 184.07349:6657891 184.80362:4228 185.07642:684131 186.07782:12120 234.30093:4086 264.26834:6486 267.66064:3502 303.55542:3815 431.16663:3695 540.85675:4003 620.4212:3691 628.28455:3848 764.18927:4296 770.65979:15101 788.60712:48143 PC 36:1|PC 18:0_18:1 2185 16.948 788.61548 [M+H]+ 0.463 TRUE 10.67 788.61639 C44H86NO8P PC ATHVAWFAEPLPPQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 60.6 56.8 100 5331.08 15-08-18-2022-POS-Isaac-L11 788.61517:46907476 789.61852:25600816 790.62188:6885140 56.04962:23525 58.0662:39094 60.08097:545141 71.07283:131021 86.09614:2296538 98.98434:44069 104.10667:209402 109.10122:15313 124.99961:1173060 141.41159:14735 183.34645:26063 184.07346:23667784 184.80367:28848 185.07632:83134 186.07788:42521 194.71875:14628 222.95415:49497 265.64594:15117 349.65115:16099 458.06528:14255 504.34332:15004 506.35583:21450 524.37042:41205 779.08911:16723 788.61926:589812 PC 36:3|PC 16:0_20:3 2175 13.812 784.58313 [M+H]+ 0.61 TRUE 9.59 784.58508 C44H82NO8P PC FHYXYDNOQOCPNC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 59.8 56.3 100 19534.86 18-08-18-2022-POS-Isaac-L14 784.58282:185310144 785.58617:98626768 786.58953:27778632 53.62779:54085 56.04983:97561 58.06429:107271 58.06619:134069 60.08096:2010721 71.07285:476596 76.16143:60676 77.83589:69641 86.09613:8437572 98.98432:238071 101.17808:70692 104.10664:957183 109.10119:62083 110.77054:62389 124.99962:4339613 139.73764:57468 163.02824:58231 183.34773:124527 184.07347:91545576 184.80363:134468 185.07634:105749 202.40843:64897 225.2084:58013 240.217:58587 291.12143:57054 303.86514:182520 433.11966:63331 478.33289:85745 496.34125:144907 528.34393:90930 534.97693:63239 784.58167:2142732 PC 36:3|PC 18:1_18:2 2174 13.5 784.58276 [M+H]+ 0.78 TRUE 9.33 784.58508 C44H82NO8P PC GDWULUGDXGHJIJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 54.9 54.1 100 12801.22 34-08-18-2022-Pos-QC03-S 784.5824:51449180 785.58575:26071108 786.58911:7212277 52.38839:13286 56.04959:23487 58.06594:25826 60.0457:15423 60.08092:566226 71.07274:99784 71.61169:13097 77.67613:14405 77.83549:16644 81.74214:13284 83.01196:12156 86.09608:2354883 89.05952:13857 95.08566:21202 98.98429:51518 104.1066:225907 105.24203:15308 112.55149:13839 124.99958:1135834 133.573:13369 154.38289:14367 183.34769:17918 184.06273:111344 184.07346:22708970 184.80357:17820 185.07574:64132 186.07777:22543 195.42651:14905 200.31171:15490 217.96939:13682 223.81787:40839 283.26373:356315 293.39297:14301 354.50201:15719 367.42081:14778 434.81314:14577 475.3313:15425 502.33057:17608 504.34305:15652 520.33923:14880 522.35211:33753 783.81433:14987 784.57983:371523 PC 36:4|PC 16:0_20:4 2166 12.956 782.56622 [M+H]+ adduct linked to 2217_[M+Na]+ 0.512 TRUE 9.09 782.5694 C44H80NO8P PC JAVWFBAAZSHHAD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 60.1 57.4 100 56464.37 9-08-18-2022-POS-Isaac-L06 782.56696:520495520 783.57031:284519424 784.57367:80559960 53.85645:136913 58.06433:237390 58.066:278341 60.08103:4788449 65.60599:133975 68.52534:158887 69.76196:148703 71.07295:1182913 73.17829:165363 73.4722:160098 86.09621:20872914 98.98439:549065 104.10675:1992872 106.53828:153853 123.30002:149699 124.99975:9624285 183.34789:162657 184.07364:212768832 203.86333:143840 217.0415:323763 217.05524:1925114 269.77475:161911 278.09219:169198 451.30518:150002 475.19833:159587 478.32764:228041 481.21017:166723 496.34164:576305 515.8454:155154 526.33569:224229 544.99957:157562 568.67108:155930 594.58777:165680 597.95636:166268 687.57281:160592 768.3573:141188 782.56891:5267273 PC 36:4|PC 18:2_18:2 2168 12.326 782.56677 [M+H]+ adduct linked to 2218_[M+Na]+ 0.976 TRUE 8.93 782.5694 C44H80NO8P PC FVXDQWZBHIXIEJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 60.2 62 100 20578.29 41-08-18-2022-POS-Isaac-S17 782.56854:58172272 783.57189:35684992 784.57525:9958289 56.04957:12789 58.06592:20041 59.07381:9041 60.08094:315219 61.28592:9519 64.8688:8836 66.66659:10017 67.05397:9481 71.0728:62752 77.83584:10568 78.16866:8652 81.06989:9429 86.09649:1333923 98.98426:24989 104.1066:135866 124.99955:645106 184.07336:14237839 185.07622:21082 186.07771:17673 205.84137:10242 223.00935:33312 256.85022:9820 287.48672:8806 295.04816:10669 301.79987:11775 311.26205:10808 345.3461:10074 387.83188:9653 414.47629:10120 445.63055:10212 502.33041:29599 520.33911:32180 782.56744:333750 PC 36:5|PC 16:0_20:5 2158 12.074 780.55194 [M+H]+ 0.537 TRUE 8.82 780.55377 C44H78NO8P PC KLTHQSWIRFFBRI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 60.1 56.5 100 17527.23 4-08-18-2022-POS-Isaac-L01 780.55249:182904640 781.55584:103104768 782.5592:28357654 56.04967:100986 58.06459:67772 58.06602:105086 59.07366:50521 60.08103:1854919 65.3163:57520 71.07286:397570 86.09622:6915090 94.828:49300 98.98443:192779 104.1068:666245 105.36573:50468 124.99975:3352682 144.05058:53480 151.90199:59485 172.02167:50446 184.07365:72626312 214.09892:52991 226.5938:53202 240.0834:48973 242.06046:48149 267.3345:57017 303.89105:138272 391.85275:52534 420.43805:53889 450.92474:54367 478.32779:56620 496.3418:161565 519.32843:50096 524.31287:70536 577.95557:49017 780.55145:1699365 PC 36:5|PC 18:2_18:3 2159 11.428 780.55231 [M+H]+ adduct linked to 2215_[M+Na]+ 0.976 TRUE 8.78 780.55377 C44H78NO8P PC HZGAVPNEGHQJID-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 58 55.3 100 2086.58 10-08-18-2022-POS-Isaac-L07 780.55249:19829242 781.55584:10968325 782.5592:2909507 53.66833:4664 56.04965:6501 58.06433:9589 58.06623:11176 60.08101:166474 62.87678:4413 64.60383:4593 67.05436:6655 71.07286:36717 77.83594:4620 79.73256:3982 81.07:6047 86.09618:746740 95.08526:6525 98.98399:20388 102.12717:8151 104.10668:74309 109.10127:5166 109.71804:3998 111.44581:4527 116.50508:4226 121.94936:4311 122.76452:4135 124.99968:350523 146.98177:5389 161.45869:4138 183.34787:9888 184.07356:7100956 184.80241:6145 185.07648:5150 186.96542:4815 220.17142:26588 362.52191:4502 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544.33759:55590 585.08374:52647 810.59814:1973856 PC 38:4|PC 18:1_20:3 2244 13.94 810.59943 [M+H]+ 0.805 TRUE 9.67 810.60071 C46H84NO8P PC JNKAOGSDBBXHEP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 70.4 62 100 2157.27 7-08-18-2022-POS-Isaac-L04 810.59979:30419908 811.60314:16820384 812.6065:4709895 55.48207:7242 58.06433:14060 58.06623:18401 60.08102:225634 67.05435:7889 71.07292:38755 81.0696:9402 86.09621:1012697 95.08575:8711 98.98439:21740 104.10676:138732 106.20142:8871 110.02095:8113 120.96641:26380 124.99971:412868 183.34785:33782 184.07365:14589660 184.8024:31071 185.07661:56642 186.07796:21290 207.99857:128921 222.5509:22769 322.27646:8306 338.93979:8237 397.71365:8689 490.94876:8142 504.34354:8936 522.35901:24418 577.59003:8212 593.18927:10362 603.53644:17057 625.513:11337 633.34528:8144 810.59882:732774 PC 38:5|PC 18:0_20:5 2238 13.612 808.58423 [M+H]+ 0.805 TRUE 9.28 808.58508 C46H82NO8P PC ZMNDHWFRGYCJKG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 59.3 55.6 100 3188.97 6-08-18-2022-POS-Isaac-L03 808.58405:39104296 809.5874:21006922 810.59076:7343251 54.66443:9025 56.04965:14395 58.06433:15908 58.06623:24026 60.08103:401233 71.07288:70046 86.09664:1488477 98.9841:44567 104.10674:138048 124.99976:744494 146.98177:22281 154.5108:8860 183.34921:16818 184.07368:15092155 184.80241:17082 185.07648:32190 186.07797:10295 347.21442:9626 449.2485:10112 488.16946:8800 506.36221:12897 524.31274:10457 524.37073:21505 535.13678:10126 546.96497:9425 745.15063:9293 808.58337:343385 PC 38:5|PC 18:1_20:4 2237 13.067 808.5835 [M+H]+ adduct linked to 2277_[M+Na]+ 0.537 TRUE 9.18 808.58508 C46H82NO8P PC SWOKEJBWARJLGN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 58.1 55 100 14298.22 14-08-18-2022-POS-Isaac-L10 808.5838:139684464 809.58715:82775880 810.59051:23067756 54.56388:44118 56.04985:88972 58.06431:95104 58.06598:73588 59.07387:63057 60.08099:1728364 60.29327:45080 71.07283:315757 72.55424:45857 74.09989:45540 77.83592:50606 86.09658:7578016 86.41526:49379 95.15793:47368 98.98413:232068 104.1067:724606 119.75361:61245 124.99968:3591414 183.34781:84170 184.07355:75912688 184.80235:112125 185.07642:99820 189.47841:46597 352.19543:48075 417.65195:53541 504.34341:66364 522.35248:139153 526.32904:91077 763.88354:60791 808.58234:1522892 PC 38:6|PC 16:0_22:6 2227 12.525 806.56622 [M+H]+ 0.512 TRUE 12.508 806.56671 null null IESVDEZGAHUQJU-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 99.9 null null null 65850.82 10-08-18-2022-POS-Isaac-L07 806.56671:599552384 807.57006:342964544 808.57342:99471056 51.28998:169612 56.04965:266146 58.06457:242420 58.066:353462 60.08099:6377212 71.07283:1613728 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635.49792:8851 677.54724:14919 759.49377:7133 760.58478:4158 818.6123:56876 PC O-44:4 2361 20.91 880.71613 [M+H]+ 0.488 TRUE 20.953 880.71368 null null QVUCZHOVBREGEJ-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.2 95.6 null null null 378.89 6-08-18-2022-POS-Isaac-L03 880.71625:1209373 881.7196:1591903 882.72296:481149 57.07004:2865 59.32206:2731 60.30638:2842 64.08354:2719 64.60134:2592 67.05408:10301 67.30858:2595 69.06968:9157 71.32799:2686 75.74719:2666 79.05399:6647 81.07011:26926 83.0856:4351 85.10143:3401 91.05423:3449 93.0698:10468 95.08533:21816 97.10122:4198 98.73168:2784 102.12775:2867 105.06967:6385 107.08524:12432 109.1014:16922 112.27652:2738 119.08539:8463 119.10771:2885 121.10082:7539 123.11651:11771 133.10126:6672 135.117:7874 137.13242:5305 147.11676:6013 149.13254:9200 154.06232:3327 161.13216:6015 163.14804:3512 169.0853:3731 171.13733:2836 172.72998:2700 175.14841:3157 177.16396:3125 184.07236:4947 191.17976:3091 197.08116:61532 201.16385:4011 266.61093:3122 447.52591:3632 561.48248:8274 766.04187:4240 PE 32:0|PE 16:0_16:0 1963 14.407 692.52222 [M+H]+ 0.488 TRUE 9.57 692.52252 C37H74NO8P PE SLKDGVPOSSLUAI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 46.8 74.8 100 112.63 12-08-18-2022-Pos-QC01 692.52161:577427 693.52496:258719 694.52832:107095 57.07008:20888 57.8696:2485 61.61908:2657 62.12853:2530 62.67148:2685 67.05437:5521 69.06998:6095 71.0854:16503 81.07001:8969 83.08559:8819 85.101:11258 86.09618:4877 95.0853:13607 97.1012:4751 99.78483:2647 109.10129:7011 123.11723:3864 151.14803:2454 179.53169:2464 184.0737:97598 194.49445:2643 206.31172:2901 239.23692:7666 282.27875:4765 313.27377:3748 336.12039:2653 499.97644:2994 551.50531:96883 692.5647:3815 PE 34:0|PE 16:0_18:0 2005 16.017 720.55322 [M+H]+ 0.488 TRUE 10.63 720.55377 C39H78NO8P PE RPJZYOHZALDGKI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 51.9 70.5 100 162.81 9-08-18-2022-POS-Isaac-L06 720.55322:1184059 721.55657:637781 722.55993:118172 50.50065:2571 55.05443:4422 55.31056:2581 57.07011:56764 58.31549:2734 67.05444:14164 69.07005:12587 71.08549:53300 81.0697:25532 83.08528:21541 84.69119:3125 85.10111:33155 86.09618:4732 95.08538:44122 97.10133:17492 109.10131:21760 111.1169:6895 117.73111:3194 123.11651:12284 133.87865:2571 137.1324:6648 145.18578:2891 152.35724:2938 166.62456:2602 171.87761:2775 179.78249:3208 184.07379:82995 185.07652:10036 186.078:3825 197.67058:2621 210.95071:2858 239.23694:6276 267.26877:6069 282.27875:9755 287.9404:2792 310.30963:6180 313.27377:5499 341.30359:6104 427.67056:3020 436.20901:2792 443.08704:3329 456.20309:2837 548.8031:2897 561.37537:2925 579.53339:263329 626.21075:2934 PE 34:1|PE 16:0_18:1 2003 14.48 718.53784 [M+H]+ 0.439 TRUE 9.91 718.53809 C39H76NO8P PE FHQVHHIBKUMWTI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 60.1 74 100 1042.93 13-08-18-2022-POS-Isaac-L09 718.53802:6021238 719.54137:2887719 720.54473:680742 50.7392:2973 53.00239:3304 55.05449:26949 55.13651:3736 57.07011:100834 60.08099:5626 67.05416:47036 69.06975:73831 71.08552:87144 75.19635:12028 75.80169:3720 79.05397:7208 81.06972:94574 83.08528:93974 85.06475:4373 85.10113:57787 86.09637:15367 93.06977:9646 95.08537:129501 97.10127:55732 99.11668:4748 107.08521:13517 109.10134:75141 111.11701:27368 113.09582:3190 115.4691:10243 121.10086:37109 123.11647:36404 124.99973:5489 125.13187:7396 135.11707:35395 137.13219:15113 139.14818:4680 142.98915:4127 149.13261:17269 151.14799:8207 153.1273:4800 155.19453:2964 163.14798:8353 165.16327:9853 184.0737:304281 190.2762:3137 239.23682:41763 247.24312:14581 265.2515:42779 269.03891:7755 269.07443:3301 282.27869:11273 303.88806:11563 308.29471:26822 313.27338:20776 339.28879:18421 454.29459:4439 516.90985:3342 525.70099:3482 577.51562:1232875 718.58002:17946 PE 34:2|PE 16:0_18:2 2000 13.357 716.52112 [M+H]+ similar chromatogram in higher mz_2048 0.488 TRUE 9.2 716.52252 C39H74NO8P PE HBZNVZIRJWODIB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 59.1 70.7 100 11022.89 10-08-18-2022-POS-Isaac-L07 716.52118:43895920 717.52453:22911202 718.52789:5290564 52.95148:19815 53.0024:28993 55.05448:152035 55.25164:13239 57.03371:25009 57.07012:624947 62.05997:19284 65.03862:19132 67.05416:620930 69.06978:291103 71.04908:24491 71.08551:577852 75.15508:13184 79.05403:118136 81.06972:937957 83.08528:373963 85.06476:34410 85.10108:338878 87.60642:19054 91.05433:75174 93.0699:196753 95.08536:961417 97.06474:33033 97.10125:210278 99.08015:27075 99.11669:23181 105.06983:70158 107.08536:122274 107.29611:12229 109.10134:548497 111.117:63111 115.99911:22280 119.0853:70447 121.10089:172853 123.11662:315725 124.01609:12745 125.13188:25905 127.11167:15272 133.10141:112317 135.11696:100363 137.13242:103046 147.11681:68346 149.13263:54507 151.14815:61494 153.12733:30657 155.00999:25131 161.13211:78513 163.1481:54285 165.16328:22173 169.00975:13737 175.14838:49972 177.16393:22022 189.16386:26404 193.15891:12542 207.76048:18780 221.2256:22507 239.23695:179971 245.2267:44052 263.23618:161627 269.92944:28455 282.27921:80905 303.86252:19646 306.27921:207822 313.27408:116819 319.26358:31818 337.27438:121680 342.26682:15257 393.23868:15575 436.28232:20470 454.29465:19339 575.50195:5395458 601.51202:18916 PE 34:3|PE 16:0_18:3 1997 12.355 714.50708 [M+H]+ 0.488 TRUE 8.96 714.50677 C39H72NO8P PE QONZHKTZKTUIMU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 56.9 70.4 100 359.64 18-08-18-2022-POS-Isaac-L14 714.50708:3137212 715.51043:1408695 716.51379:255720 52.15391:2678 55.05439:11068 57.07005:50311 61.33829:2561 67.05439:38548 69.07005:18794 71.08548:36041 75.30986:2730 79.05417:19315 79.53492:3243 80.16614:3449 81.06965:48518 83.08564:27363 85.10101:24085 91.05415:8993 93.06983:37968 95.0853:57710 97.06468:4461 97.10122:17760 99.11663:3123 105.06958:6912 107.08531:21936 109.1013:36375 109.47225:3145 111.11682:5743 115.90856:2640 117.06936:4981 119.08529:9616 121.10094:23986 123.11654:17657 131.08585:5951 133.10114:9536 135.11697:18260 137.13229:6725 137.35928:2784 145.1012:4358 147.11665:3643 149.13242:7738 159.11662:2922 161.13202:2889 163.1479:3755 173.13268:4439 180.65115:2935 184.07222:5879 185.26033:2706 187.14798:4956 194.80191:2519 221.22546:4484 239.23671:13916 261.22101:5004 282.27856:3178 303.86517:7176 304.26364:11674 313.2739:14047 314.63821:3055 317.24887:3436 335.25848:7626 336.7562:3263 347.22464:2878 457.12997:3243 573.49109:382677 600.79169:2924 PE 34:3|PE 16:1_18:2 1996 12.049 714.50677 [M+H]+ 0.488 TRUE 8.77 714.50677 C39H72NO8P PE SSRRIJSEUKHYFB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 55.9 73.2 100 1116.76 4-08-18-2022-POS-Isaac-L01 714.50525:3437908 715.5086:1543321 716.51196:421198 55.05448:23913 57.07005:10903 63.05652:2808 67.05442:80607 69.07003:51133 71.04911:4135 71.08545:4891 79.0541:19708 81.06969:93509 83.08567:35619 85.0648:4022 85.10103:4320 91.05425:9815 93.0699:30623 93.61783:2792 95.08539:82225 97.06478:5607 97.1013:30825 99.0802:4982 105.07027:3956 107.08524:24438 109.10129:36480 111.08047:4613 111.11693:11835 119.08542:7854 121.10086:47301 123.11649:30479 131.73531:3167 133.10127:10979 135.117:34701 137.13231:14436 147.11681:6057 149.13272:16340 151.14809:4829 153.12741:7415 161.13219:5999 163.14809:8554 175.14845:5268 184.07375:7666 219.21011:8662 237.2216:21212 245.22681:3202 263.23605:15699 280.26324:8210 306.27969:18867 311.25674:7722 337.27463:7874 375.69034:2974 442.16739:2901 496.87057:2864 573.48444:452624 603.49701:2897 647.69366:2966 714.4986:2922 PE 35:2|PE 17:0_18:2 2030 14.105 730.53748 [M+H]+ 0.488 TRUE 9.6 730.53809 C40H76NO8P PE UJCJWIHZUHMDIT-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 64 70.5 100 521.13 5-08-18-2022-POS-Isaac-L02 730.53766:2192814 731.54101:1113303 732.54437:388718 50.85583:2682 55.05466:3799 57.07008:29378 64.36398:2732 67.05439:34092 67.16978:2732 68.0293:3112 69.07003:12437 71.08556:26764 72.91758:2450 74.55813:2469 79.05438:9066 81.07005:44229 83.08555:16159 85.10103:20565 91.24857:2503 93.06981:7053 95.08535:42541 97.10113:13962 104.59319:2582 107.08526:6050 109.10125:25337 111.11692:6076 119.0854:3357 121.10155:7740 123.11632:14893 133.10126:4435 135.117:6447 137.13242:7863 149.13255:3347 152.70613:2602 157.15482:2907 161.13217:3632 175.14844:4224 179.50592:3235 179.57953:2968 184.07372:7089 200.92516:2589 215.79401:2566 219.1317:2774 253.25179:7011 263.23611:12365 303.89105:4096 306.27954:11026 327.29095:5798 337.27457:6816 389.85345:2835 407.28391:3985 447.67847:3055 494.67215:2772 532.17889:2793 589.5152:404478 PE 36:1|PE 18:0_18:1 2065 16.09 746.56842 [M+H]+ adduct linked to 2122_[M+Na]+ 0.463 TRUE 10.8 746.5694 C41H80NO8P PE JQKOHRZNEOQNJE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 61.3 73 100 3170.51 6-08-18-2022-POS-Isaac-L03 746.56854:16185327 747.57189:8519690 748.57525:2099442 53.0024:9138 53.76788:5407 55.05442:65808 57.07007:265551 62.06024:8181 67.0544:132372 69.07001:173589 71.04908:6012 71.08546:239909 75.15613:4533 76.48362:6692 79.05404:27337 81.06966:223401 83.08561:207372 85.06476:14157 85.10103:169652 86.09617:15677 93.06984:39058 95.08531:324433 97.10122:198397 99.08015:8909 99.11669:15694 107.08516:39091 108.5309:14360 109.10129:202442 111.08042:10884 111.11688:108126 121.10084:104062 123.11655:92570 124.99975:4959 125.13281:23105 127.11167:7797 135.11694:93891 137.13228:45775 139.11208:8956 141.16376:4968 149.13239:43595 151.14821:32621 153.12733:14331 155.00999:12468 155.14268:4982 163.14801:14654 165.16325:23738 167.14297:7684 177.16393:5403 179.17969:6704 184.07359:282230 185.07784:4615 191.17973:6066 247.24239:43482 249.25835:10901 260.87476:4317 265.25369:115448 267.26849:66284 308.29474:97576 310.3093:21193 326.39639:4928 339.28839:60023 341.30344:49435 421.27213:5431 448.88583:4377 464.31235:9001 482.32272:11479 605.5473:2808366 609.90601:4800 746.60498:15511 PE 36:2|PE 18:0_18:2 2061 14.872 744.55194 [M+H]+ adduct linked to 2116_[M+Na]+ 0.585 TRUE 9.84 744.55377 C41H78NO8P PE YDTWOEYVDRKKCR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 45.8 74.2 100 17113.13 29-08-18-2022-POS-Isaac-S06 744.55444:2195435 745.55779:990474 746.56115:321474 51.82993:3323 53.52131:4214 55.05441:9926 57.0701:37373 60.08098:13262 62.90703:3375 67.27714:4728 69.07007:21285 71.08553:36870 76.39285:15059 79.05396:6858 80.87911:6700 81.0697:65973 83.08569:27227 85.10104:28455 85.47473:3422 86.09623:48644 86.17984:3560 91.05419:6129 93.06977:9357 95.08535:61524 97.10127:24984 104.10672:8857 105.06963:3703 107.0852:8575 109.10132:36975 111.11686:11499 119.08534:6475 121.10149:8217 123.11669:23748 124.99977:18665 133.1012:8894 135.11694:7292 137.13235:11193 147.11671:7860 149.13248:3531 151.14799:4925 161.1321:6847 184.0737:847985 245.22459:3173 253.68272:3537 263.23596:14778 267.26868:7889 306.27979:15899 315.09421:3307 319.26044:4235 327.259:4443 337.27441:8813 341.30426:13466 402.89841:3330 424.39911:3213 547.37024:3378 550.77509:3329 603.53674:507352 733.31549:3235 744.59503:45606 PE 36:3|PE 16:0_20:3 2059 13.708 742.53857 [M+H]+ 0.488 TRUE 9.66 742.53809 C41H76NO8P PE IQLKOURRKVPATH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 57.9 70.2 100 1747.75 14-08-18-2022-POS-Isaac-L10 742.53833:9803347 743.54168:5095424 744.54504:1321163 53.03886:6592 53.66093:6070 53.78839:3963 55.05448:45279 57.07009:170808 62.06022:5423 65.0386:4329 67.05443:150772 69.07003:90210 71.08548:142539 79.05405:80870 79.68594:3686 81.06969:204096 83.08566:91960 85.06473:8420 85.10106:100142 87.61872:3884 91.05431:40389 93.06985:160379 95.08533:233274 97.06471:5967 97.10125:72532 99.08012:8658 99.11666:5931 105.06965:34827 107.08529:91839 109.10132:126468 109.47413:9797 111.08039:7044 111.11708:18561 113.0958:7356 117.07008:12068 119.08545:27293 121.10091:84492 123.08053:4454 123.11652:55498 125.1326:5354 131.08588:15921 133.10133:30207 135.117:42927 137.1324:24990 139.11115:6964 145.10114:17703 147.11684:20721 149.13268:20566 151.14796:11098 153.12729:4111 155.00993:6836 159.11668:9321 161.13229:18252 163.14795:58453 165.07555:3779 165.16324:5262 173.13274:8924 175.14845:16441 177.16386:12569 184.07361:10943 187.14803:4953 189.1638:7353 191.17967:4967 201.16376:7127 202.40852:6464 221.91777:4092 239.23711:41819 252.89937:4454 262.02295:6368 265.25363:5908 271.24347:7950 282.27863:11729 283.26389:11511 284.26718:12503 289.25351:14108 303.86243:9860 306.27936:7552 313.27368:36642 320.46725:4714 331.01233:5361 332.29291:43833 337.27438:6654 345.28104:10762 363.28989:23001 398.45117:4391 432.76688:3674 601.51984:1411535 PE 36:3|PE 18:1_18:2 2060 13.464 742.53876 [M+H]+ 0.512 TRUE 9.35 742.53809 C41H76NO8P PE GKAFCSRKMWFPSJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 57 70.7 100 7317.86 9-08-18-2022-POS-Isaac-L06 742.53857:40501980 743.54192:21474220 744.54528:5302956 53.03887:14596 53.66095:9769 55.05448:181507 57.03371:16422 57.07006:91265 58.36236:8296 62.06024:12569 65.03862:10907 67.05444:526238 69.07005:401367 71.04908:15673 71.08553:56079 79.05407:142024 81.07007:642600 83.04901:16202 83.08565:301752 85.06476:28258 85.10099:28969 91.05431:54778 93.06984:197779 95.08534:675838 97.0649:41590 97.10127:258604 99.08068:19291 105.06973:42353 107.08525:145778 109.10133:359713 109.46063:17204 111.08049:44687 111.117:85431 113.09583:26211 119.08538:44566 121.10158:259988 123.11655:183656 125.09582:13920 125.13263:21662 127.11167:16100 133.1013:76342 135.117:237574 137.1326:79777 139.11119:15065 147.11671:48796 149.13258:110824 151.14803:45701 153.12709:45911 155.01102:10518 156.28801:7703 161.13222:52843 163.14822:78351 165.16443:22492 167.14297:15906 175.14851:45874 177.16393:22181 179.17969:8891 184.07233:13279 189.16386:15038 191.17973:11941 193.15891:9788 202.39932:9217 202.40858:13329 203.18068:9271 245.2267:29864 247.24294:52682 252.9016:7411 262.0253:20059 263.23608:100016 265.25351:147322 284.80057:8913 306.2796:147232 308.29483:51032 319.26358:21510 331.00919:10350 337.27423:69985 339.28909:71969 371.85391:8088 444.28595:8579 462.29947:9703 539.7583:8686 601.52002:3466567 PE 36:4|PE 16:0_20:4 2054 13.076 740.52203 [M+H]+ similar chromatogram in higher mz_2102 0.488 TRUE 9.16 740.52252 C41H74NO8P PE NQIMLWFRWGTTOZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 43.8 70 100 19818.1 4-08-18-2022-POS-Isaac-L01 740.52277:68015120 741.52612:40222472 742.52948:10561034 51.68425:17323 53.00242:21146 55.01806:32140 55.05446:135473 57.03373:34890 57.07008:647930 62.06026:21744 65.03865:15251 67.05412:358432 69.07002:226757 71.08549:507316 79.05407:245146 81.06969:486543 83.04904:34891 83.08525:304704 85.06479:36211 85.10108:342402 86.61663:16895 91.05428:419074 93.06991:274299 95.08534:686384 97.06487:87040 97.10123:111566 99.11673:24474 105.06972:266562 105.53663:45274 105.54071:17859 107.08535:137344 109.10135:315718 111.11692:31813 117.07017:143450 119.0854:334407 121.10098:136010 123.07988:34698 123.11661:130458 125.13268:24179 129.06956:34128 131.08511:127929 133.10121:236277 135.11703:50525 137.13243:92072 143.08565:58773 145.10133:56843 147.11674:109966 149.13255:32854 151.14809:21195 155.01004:20944 157.1012:67568 157.36443:18946 159.11678:51528 161.13219:52532 163.14807:31357 171.11716:66310 173.13164:22661 175.14809:65732 177.16399:23750 185.13335:34581 187.14816:17351 189.16393:28192 194.45229:15192 199.14832:16259 201.16389:35433 203.17912:235417 213.16367:22196 221.22568:27836 222.81502:40777 227.17902:18673 239.23663:130329 243.68803:15540 257.24667:31010 269.22626:128612 282.27893:69598 287.23883:18594 311.25671:41542 313.27365:1857057 330.27948:153676 361.27298:51541 367.28513:107163 387.5867:16591 393.23883:20621 436.28247:20060 599.50574:3544617 616.54962:15034 PE 36:4|PE 18:2_18:2 2055 12.336 740.52246 [M+H]+ 0.561 TRUE 8.81 740.52252 C41H74NO8P PE SSCDRSKJTAQNNB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 51.8 75 100 2171.75 27-08-18-2022-POS-Isaac-S04 740.52209:1536506 741.52544:1007510 742.5288:152972 51.92861:2683 52.08847:2888 55.0544:8747 57.07:5601 59.66516:2885 65.08733:2803 67.05439:60471 69.06995:20388 71.08539:5186 75.15645:2895 77.01379:2543 78.45444:2777 79.05431:13077 81.07001:71894 83.08553:19213 86.09614:4555 91.05417:7911 93.06975:18595 95.08527:62159 97.0647:4345 97.10116:6662 105.0696:6457 107.08515:13315 109.10133:37034 116.82499:2588 119.08532:10885 121.1015:14174 123.11653:19615 133.10117:10412 135.11703:14797 137.13232:7585 146.9817:10266 147.11668:7994 149.13245:6885 151.14796:3124 161.13205:10251 163.14793:5078 175.1483:7277 179.34195:3174 184.07365:36152 198.10382:2948 243.77975:3446 245.22659:3291 245.67453:2669 251.98003:2552 263.23581:16571 303.89084:4871 306.27896:15213 308.29468:2832 337.27432:8671 347.30115:2960 385.77008:3329 465.63617:3053 475.59879:3547 557.45453:4278 599.50623:271589 641.6394:3269 740.55573:12732 PE 36:5|PE 16:0_20:5 2049 12.129 738.50562 [M+H]+ adduct linked to 2099_[M+Na]+; similar chromatogram in higher mz_2143 0.488 TRUE 8.82 738.50677 C41H72NO8P PE KHLRCNXJXSYNCK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 41.7 70 100 3761.42 15-08-18-2022-POS-Isaac-L11 738.50616:21876276 739.50951:11529329 740.51287:3007198 53.00237:14991 53.03864:22160 55.01801:21755 55.05453:90228 57.03368:14800 57.07014:376800 62.05995:11133 67.0542:264550 69.06979:112498 71.04905:9987 71.08555:319297 79.0541:238824 81.06974:314649 83.0853:170881 85.06472:14157 85.10113:217442 91.05435:270591 93.0699:252079 95.08539:430515 97.06487:47517 97.10129:91085 98.05994:16152 99.11664:13156 105.06978:162140 105.38771:23806 107.08533:105532 109.10082:209527 111.1162:28236 115.0539:10988 117.06955:170638 119.08547:196699 121.10093:89173 123.08051:14467 123.1166:87608 124.01603:9174 125.13258:19953 129.06958:63366 131.08525:233246 133.10129:98297 135.11633:46219 137.13226:33865 141.06921:15676 143.08569:54877 145.10135:129785 147.11691:49504 149.13245:26288 151.14795:10474 155.0099:10229 155.08453:21113 157.10088:44939 157.92104:14224 159.11681:95516 161.13203:28849 169.10052:18620 171.11694:41158 173.13307:46359 175.1483:10828 183.11613:15513 184.07358:16211 185.13248:34406 187.14799:18645 193.88426:7777 197.13152:19976 199.14815:21317 201.16379:86631 211.14809:11216 221.22549:13114 225.16313:10450 239.2368:91747 257.24646:20107 263.1925:8164 267.21036:31753 282.27844:42221 285.22144:8706 303.86523:19359 311.25854:34722 313.27362:1084128 328.26254:91407 359.25751:27479 367.28476:62325 393.24268:10688 436.2821:9789 454.29446:9604 597.48547:2042259 623.5022:12383 PE 36:5|PE 16:1_20:4 2051 11.815 738.50598 [M+H]+ 0.488 TRUE 8.76 738.50677 C41H72NO8P PE CXGZFWPMXPAZEA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 41.3 70.1 100 967.64 9-08-18-2022-POS-Isaac-L06 738.50653:7720971 739.50988:4290691 740.51324:1015716 53.0024:3975 55.05442:46590 57.03371:8024 57.07011:27935 59.06049:6444 60.081:3810 63.93207:3618 67.05438:91490 69.07001:84346 71.04909:4786 71.08543:12400 79.05398:58895 81.06964:109663 83.08559:54276 85.06477:8132 85.101:10006 86.09661:4101 91.05423:82789 93.06983:83699 95.0853:119488 97.06482:20073 97.1012:45235 105.06968:60301 107.08522:38778 109.10132:46180 111.08043:7282 111.1169:16195 117.07003:24806 119.08536:69552 121.1008:77730 123.08058:7731 123.11643:23168 123.49576:3217 125.09583:8082 127.11168:4561 129.06953:13185 131.08524:25292 133.10121:51462 135.11694:56901 137.13229:19996 143.0856:8867 145.10127:12128 147.11693:17907 149.13255:22734 151.14803:3617 153.12735:6819 157.10086:12710 159.11674:10039 161.13181:15256 163.14803:9107 171.11688:10243 173.1328:4153 175.14839:7243 177.16393:4748 184.07372:53410 185.13193:7067 187.1481:5433 189.16386:6320 199.14674:3692 201.16383:7280 203.17902:43326 219.21004:11161 223.36407:7692 227.17896:4129 237.22145:27758 241.19547:4534 263.19263:3335 269.22583:18981 280.26355:14411 282.52838:4127 287.23615:3863 309.24136:4640 311.25641:298423 330.27954:29404 343.26495:3439 361.27286:11685 365.26761:21199 388.46872:3303 416.25366:4164 434.26907:4203 452.27432:4617 587.14044:3256 597.48578:619232 611.10443:3552 PE 36:5|PE 18:2_18:3 2050 11.409 738.50598 [M+H]+ 0.439 TRUE 8.68 738.50677 C41H72NO8P PE ZOXULAUECYWFFP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 51.6 70.6 100 170.67 13-08-18-2022-POS-Isaac-L09 738.50629:2085023 739.50964:1059781 740.513:254401 50.26318:2616 51.79831:2576 52.99515:2352 54.07201:2411 55.05442:4978 55.71351:2280 57.07003:3741 62.31559:2351 64.90481:2795 67.05443:22445 69.06997:7195 69.56782:2640 72.47272:2480 78.61886:2763 79.05404:12978 79.90329:2481 81.06973:29560 83.08558:5836 85.66468:2605 91.05421:7519 93.06992:16527 95.08541:21813 105.06964:4956 107.08535:11918 109.10128:11445 119.08536:6059 121.10073:12263 123.11649:6577 133.10123:7206 135.11697:9319 147.11673:4513 149.13251:6855 153.88281:2864 161.13211:3114 163.14799:3357 175.14838:3685 184.07375:14718 190.03975:2468 207.47784:2784 210.29926:2885 223.61514:4501 223.6277:5786 226.10017:2487 261.22116:3872 263.23846:3936 304.26382:2939 306.27942:3048 337.27448:3159 361.25439:2571 386.50745:2937 597.48706:144540 721.40656:3719 PE 36:6 2041 11.323 736.49011 [M+H]+ 0.439 TRUE 8.43 736.49121 C41H70NO8P PE LEBOQMHVVYOZDX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 88.9 100 51 69.4 100 138.68 11-08-18-2022-POS-Isaac-L08 736.49042:873929 737.49377:543071 738.49713:1088982 55.05443:3153 55.57471:2860 57.07005:21447 59.49166:2563 65.17738:2488 67.05436:18998 69.06998:8317 71.08539:19446 79.054:14048 81.0701:16539 83.08559:6368 85.101:11843 88.11215:8723 91.05417:16369 93.06985:12887 95.0853:25792 102.12774:3126 105.06959:12938 106.58554:2797 107.08524:7069 109.10111:13707 117.07013:7372 119.08538:10649 121.10153:3642 121.82947:2810 123.11651:5681 123.26918:3224 129.06953:4062 131.08514:11938 133.10124:5831 139.39967:2921 145.10129:6614 147.11676:3531 157.10088:2476 159.11674:3138 161.13214:3705 166.07632:2856 168.13919:3347 184.07368:6250 185.13194:2993 186.13525:2519 211.20587:8209 222.37463:10175 285.24228:6437 354.27682:3607 368.34927:4227 369.35696:4342 535.15015:2908 595.46906:158395 717.34668:3569 PE 37:4|PE 17:0_20:4 2089 13.808 754.53748 [M+H]+ ion correlated with 2126 0.488 TRUE 9.65 754.53809 C42H76NO8P PE CKWQBCHPEQMNNL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 38.9 70.3 100 844.14 6-08-18-2022-POS-Isaac-L03 754.53748:8830144 755.54083:4878256 756.54419:1256364 53.0024:4794 53.03887:3830 55.01804:5974 55.05452:34674 57.03371:6920 57.07014:178191 57.38328:5067 60.081:4189 62.06024:4292 65.03863:3794 67.05419:103342 69.06979:51938 71.08557:160446 76.83889:4419 79.05411:72193 81.06977:130671 83.0853:71627 85.06476:7697 85.10114:94231 86.09633:20120 91.05433:129343 93.06995:71606 95.08541:181296 97.06499:21452 97.10133:62702 98.05999:4191 99.1167:5383 99.64532:3751 105.06979:91194 107.08533:42876 109.10139:80162 109.30405:10707 111.11695:16349 117.06958:32986 119.08553:109734 121.10097:31187 123.08057:11208 123.11669:42111 124.99975:9736 125.09583:3944 129.06955:14835 131.08524:36885 133.10133:74985 135.11734:17966 137.09619:4589 137.13254:23427 143.08554:18869 145.10149:24946 147.11687:25529 149.13252:12495 149.1599:5953 151.14803:10413 155.00999:8110 157.10101:20825 159.11673:12932 161.13252:20047 163.14801:8335 171.11723:21803 173.1328:8031 175.14838:13125 177.16393:5413 184.07378:209183 185.0768:31444 185.13193:13908 187.1481:6920 189.16386:12097 199.14825:4765 201.16383:5667 203.17915:71006 235.24153:6745 241.19547:5524 253.25191:29422 269.22647:36789 271.26273:6336 287.23615:8225 296.29654:21696 325.2756:8331 327.29089:474499 330.27945:44857 341.30356:7557 343.26495:4701 361.27313:15618 381.29935:22335 450.29819:5905 468.30685:4173 613.52008:837720 664.19464:4830 754.61926:7172 PE 37:6 2072 11.97 750.50635 [M+H]+ 0.488 TRUE 8.64 750.50677 C42H72NO8P PE YYGREQXLMIWHCL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 89.5 99.9 55.7 69.5 100 233.56 12-08-18-2022-Pos-QC01 750.50665:1846800 751.51:1306862 752.51336:879779 55.05442:5430 57.07007:28087 58.86872:2630 64.64986:2798 67.05438:24959 67.06498:2786 69.06998:9274 71.08545:22431 79.05439:20204 81.06999:32468 83.08559:9839 85.10115:12347 91.05418:23977 93.06978:18198 95.08576:27357 97.1012:5722 102.09173:3626 105.06981:14949 107.08582:7838 109.10148:12843 111.11689:4141 117.06999:12707 119.08537:11506 121.10081:5143 123.1165:6523 129.07031:5955 130.07828:2778 131.08585:17289 133.10123:7137 135.11697:2911 137.13239:3924 143.0856:6595 145.10127:8447 147.11674:3254 157.10191:3091 159.11673:4748 171.11687:4106 184.07368:3238 201.16383:3012 225.22128:7822 230.17497:2962 295.18195:3149 299.25821:12074 303.86539:5143 354.2804:6364 385.27454:3919 486.17816:2879 609.44598:4015 609.48639:246291 698.45258:3023 750.60712:3407 PE 38:1|PE 18:0_20:1 2142 17.516 774.59906 [M+H]+ 0.463 TRUE 12.18 774.60071 C43H84NO8P PE DBYSGBYABPVNGO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 49.5 70.3 100 188.1 11-08-18-2022-POS-Isaac-L08 774.599:1500562 775.60235:797245 776.60571:182985 55.05442:11111 56.59054:3287 57.07009:35482 59.06052:17418 60.08104:20711 67.05442:19240 69.07:22655 71.08548:29881 71.58673:2904 81.06963:31553 83.08525:21998 85.10097:23838 86.09626:19344 93.06979:3801 95.08535:41544 97.10112:23578 107.08523:3996 109.10126:29160 111.11689:12047 121.10081:11238 123.11668:17851 124.99976:10047 135.11699:10854 137.13239:3840 149.13252:4299 151.14803:3927 163.14803:4507 184.07362:325094 185.07661:33481 191.05351:2760 193.19495:2865 216.50359:3156 223.96381:5446 231.20003:2952 267.26877:3411 268.09628:3271 275.27344:3995 293.28543:11559 310.30963:3172 328.71948:3133 336.32559:12110 341.30356:6478 367.31921:6180 633.58502:359414 774.66107:4334 PE 38:3|PE 18:0_20:3 2133 15.223 770.56763 [M+H]+ 0.537 TRUE 10.38 770.5694 C43H80NO8P PE MSYFXMJDQLPRGO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 55.9 70.4 100 5932.84 20-08-18-2022-POS-Isaac-L16 770.56982:16407738 771.57317:9343458 772.57653:2460259 53.00256:6987 53.03883:8316 55.05439:36109 57.03366:4118 57.07002:171112 62.06019:7753 65.03857:3682 67.05434:128428 69.06995:74055 71.04902:3705 71.08541:154025 74.72005:3333 76.54068:3945 79.05433:75163 81.06996:181503 83.08557:71422 85.06469:7448 85.10096:97396 86.0961:10471 91.05414:41077 93.06974:157906 95.08569:194404 97.06466:6955 97.10114:86525 99.0806:11163 101.4293:4102 103.41843:8997 105.06962:37320 107.08572:90522 109.10119:111344 111.08033:6958 111.11684:30215 113.13255:4004 116.83104:5330 117.07011:17376 119.08534:31379 121.1014:72226 121.48218:3434 123.11632:46855 125.09572:5152 131.08588:26099 133.10094:27086 135.11688:31749 137.13235:21025 145.10101:20505 147.11682:16797 149.13229:14866 151.1479:7955 159.11659:11597 161.13217:18121 163.14789:54454 173.13266:14829 175.14822:12477 177.16377:8870 179.35735:4578 182.96452:3393 184.07343:97954 185.07634:4077 187.14793:9554 189.1637:12534 197.22211:6192 201.16365:4384 203.17896:5278 212.84302:3379 222.96301:9517 245.67442:6342 249.25813:8923 254.40637:6724 267.26825:28091 271.24332:10176 289.25262:20454 310.30954:21365 311.29465:6263 312.2995:5340 332.29578:49072 339.57687:3757 341.30673:40051 345.2774:11044 363.29028:28387 464.31198:6761 482.32803:5172 566.78998:3512 629.54614:1264542 PE 38:4|PE 18:0_20:4 2124 14.589 768.5531 [M+H]+ 0.488 TRUE 10.03 768.55377 C43H78NO8P PE YEHAZLUVAZKVRO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 45 70 100 23638.8 20-08-18-2022-POS-Isaac-L16 768.55267:179188576 769.55602:101920056 770.55938:27002942 53.00235:67519 55.01799:63972 55.05455:393515 57.03366:97087 57.07015:1941650 62.06019:63113 67.05421:1303258 69.06977:716421 71.08555:1723484 79.05412:868379 81.06975:1600874 83.04894:84651 83.08533:722760 85.06469:80045 85.10115:1177945 91.05435:1355206 91.0588:52493 93.06995:826930 95.04886:58564 95.0854:2121389 95.94051:46653 97.06481:297007 97.1013:699644 99.08007:60959 105.06979:1051215 106.02181:49776 107.08532:463755 109.1014:1057633 111.11705:349585 113.05508:158020 113.13255:53201 117.06969:387974 119.08549:1292485 121.10092:476042 123.08047:132766 123.11669:448588 124.01599:54270 125.13254:69207 129.06943:181571 131.08528:465798 133.10132:864216 135.11687:209584 137.13226:191962 141.9548:98994 143.08548:162526 145.10107:263353 147.11681:425789 149.13239:106203 151.1479:79875 155.00986:97669 157.10069:205025 159.11659:165240 160.10594:45784 161.13216:248220 161.51144:49564 163.14787:85817 165.16316:58155 171.11671:218411 175.14824:147440 177.16377:62527 184.07352:114900 185.13177:154867 187.14793:112577 189.1274:49049 189.16371:91262 191.17958:55538 199.14809:75300 201.16365:138024 203.17914:980124 213.16342:56711 227.17876:61150 237.58475:45781 241.19527:68392 245.2265:46882 249.25813:58194 254.92558:49317 255.96658:49141 261.5181:46219 267.2684:229949 269.22565:305754 271.24094:51339 285.27823:99052 287.23587:83129 303.89072:104097 310.30948:223255 330.27933:568842 339.28821:88634 341.30338:6333384 343.26465:52080 361.27255:172494 395.31488:364444 464.00064:53158 482.32233:87876 482.8288:50080 609.98639:47487 627.53302:13104421 671.85876:49510 750.68378:52113 764.31409:55384 PE 38:4|PE 18:1_20:3 2126 13.821 768.55365 [M+H]+ ion correlated with 2089; similar chromatogram in higher mz_2175 0.488 TRUE 9.97 768.55377 C43H78NO8P PE FHPKJOCRZAXOEW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 55.8 73.9 100 852.52 20-08-18-2022-POS-Isaac-L16 768.5528:4698224 769.55615:2854028 770.55951:848618 55.05449:25633 57.07006:22229 60.08095:5509 67.05441:88701 69.07003:75998 71.08548:17409 77.4532:9536 79.05405:48634 81.06966:110873 83.08563:64275 85.06469:5000 85.10091:14083 86.09616:19961 87.09973:3923 91.05422:27318 93.06982:109761 95.08531:124116 95.92538:4949 97.06466:5798 97.10124:52961 99.08007:8224 103.82498:5461 105.06969:22127 107.08525:58496 109.10127:63762 111.08034:7809 111.11706:19010 113.09575:4080 117.06934:5806 119.08535:18627 121.10081:85645 123.11645:25980 124.99965:7517 125.13254:3471 127.11157:4555 131.08513:14214 133.10112:13162 135.11696:57278 137.13226:12275 139.11108:6370 145.10117:9189 146.98166:12396 147.11662:7601 149.13255:32769 151.1479:13543 153.12721:7435 155.00987:5195 159.11659:8586 161.13199:8915 163.14793:45389 165.16316:5102 173.13264:10299 175.14824:8672 177.16377:8140 184.07358:263970 185.07651:50601 186.07819:16528 187.14793:5490 189.16371:6955 197.57645:3815 201.16367:4720 203.17897:5175 215.17909:3575 241.46292:6847 247.24252:12437 254.92558:4589 265.25363:37565 271.24094:7901 289.25336:13237 308.29456:12685 332.29254:28464 339.28769:26390 345.27744:5664 363.29007:16716 480.31012:4036 585.48621:5297 627.5329:1048841 709.47021:3788 768.48248:5347 768.57397:17871 PE 38:5|PE 18:0_20:5 2117 13.56 766.53607 [M+H]+ 0.537 TRUE 9.47 766.53809 C43H76NO8P PE MOJMRZJNAPRFBD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 45.3 72.6 100 1402.81 14-08-18-2022-POS-Isaac-L10 766.53845:13517806 767.5418:8344556 768.54516:2122008 53.00238:6684 53.03885:7599 54.28714:4501 55.01802:4211 55.05454:35122 57.03369:10642 57.07014:179684 57.72311:4617 60.08072:4157 67.0542:115314 69.06979:54741 71.04906:7571 71.08555:161003 77.36618:5719 79.05411:98523 81.06975:152249 83.04898:7342 83.08532:72089 85.06473:10295 85.10111:110419 86.09625:24997 91.05433:139429 93.06992:103822 95.0854:216487 97.06494:22519 97.10133:75640 99.08012:5438 99.11666:11128 105.06981:86787 107.08536:63460 109.10139:96202 111.11696:32898 112.90107:12977 112.90558:6484 117.06954:82017 119.0855:101635 121.10089:47700 123.07979:11542 123.11664:54691 124.9997:6115 129.06969:31170 131.08528:102559 133.10139:60303 135.11714:25838 137.13229:22968 141.07013:8057 142.40169:7166 143.08554:23060 145.10127:66396 147.11705:28409 149.13246:12926 151.14796:10522 155.00993:7219 155.08559:10854 157.101:29272 159.11682:49990 161.13197:16230 169.10056:12203 171.11633:19258 173.13284:25420 175.14832:8854 183.11748:9885 184.07375:316943 185.13184:20363 187.14803:10889 189.16379:4083 197.13155:8727 197.9348:4114 199.14818:7245 201.16386:52778 238.05537:5120 239.17923:5796 242.45509:5162 249.25826:4623 255.44868:6311 267.20972:18716 267.26852:30853 285.22147:4324 285.27835:7548 303.86526:8770 310.31039:18813 313.27362:11397 328.26239:53340 339.28802:17177 341.30344:549849 344.96094:4324 359.2579:21314 395.31354:25016 482.32825:7773 577.51538:10978 625.52106:1418660 709.2981:3877 766.57666:12412 PE 38:6|PE 16:0_22:6 2107 12.683 764.52014 [M+H]+ 0.488 TRUE 8.99 764.52252 C43H74NO8P PE MPWUZHVZZKSTPV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 54.6 69.8 100 16368.36 4-08-18-2022-POS-Isaac-L01 764.52063:117732912 765.52398:67944944 766.52734:18082704 52.65983:31505 52.81092:25540 53.00242:53208 53.03889:73442 55.05448:281263 57.07011:1288814 61.6204:31523 65.03865:30631 67.05445:966902 69.07003:359320 71.04911:52350 71.08551:1080123 79.05409:791357 81.06972:1108584 83.04904:67995 83.08568:438171 85.06479:33577 85.10107:648237 91.0543:1066951 93.06987:806293 95.04897:57904 95.08536:1264130 97.06477:89322 97.10131:254384 99.11672:59911 104.64432:40199 105.06975:653871 107.0853:325377 109.10137:619438 111.11692:83036 115.054:30709 117.06951:481929 119.08543:524020 121.06508:41537 121.10096:225569 123.08061:26641 123.11663:246011 124.01539:27783 125.13268:30688 129.06973:253789 130.07751:35527 131.08521:672881 133.10118:369594 135.07993:45654 135.11702:98010 137.13243:86608 141.06932:67102 142.0258:29935 143.08575:198420 145.10129:394498 147.0804:38083 147.11668:119311 149.13255:48345 155.01004:49263 155.08569:99296 157.10094:126104 159.11668:247975 161.13214:117323 162.04181:31860 165.16449:27084 167.08505:33427 169.10185:99987 171.11688:152364 173.13335:117134 175.14844:38043 181.10184:48654 183.11629:61167 184.07373:34324 185.13235:107035 187.14815:57148 195.11626:31558 197.13316:35231 198.29568:39277 199.14832:48135 201.16389:123181 211.14825:27300 213.16367:40616 223.14925:25943 227.17902:25484 238.52945:39201 239.23685:214985 247.1656:30088 255.97786:44238 282.27933:183823 302.36411:28041 303.8598:39980 311.23901:32217 313.27359:452180 354.28049:247026 385.27478:176388 393.23883:28465 436.28247:29495 447.0994:31882 497.15604:24451 598.22357:26264 623.50262:8769487 673.83636:26465 762.98962:31660 PE 38:7 2104 11.832 762.50708 [M+H]+ 0.488 TRUE 8.61 762.50677 C43H72NO8P PE VZEORNYJSCEJAG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCC 420 TRUE TRUE TRUE FALSE FALSE null null 97 99.9 50.9 72.2 100 413.72 18-08-18-2022-POS-Isaac-L14 762.50708:3420723 763.51043:2097953 764.51379:929164 53.03884:4074 55.05446:13985 57.07008:62199 59.59421:2639 65.03858:3652 67.05442:51410 69.07006:15130 71.08548:48269 78.17911:3574 79.05405:55986 81.06968:54255 83.04936:4938 83.08562:20616 85.10102:38804 86.09655:4884 91.05428:82664 93.06988:40476 95.08531:51668 97.06468:3129 97.10114:12664 99.35808:3237 105.06972:33338 107.08536:15840 109.10138:25913 111.08036:3071 111.11681:5369 114.41923:2933 115.05389:3531 117.07007:34031 119.08546:28473 121.10073:11507 123.11642:10347 128.06235:5237 129.07007:26788 131.08595:36056 133.10114:12137 135.1169:6210 137.13229:5632 141.07008:6701 142.07747:3382 143.08569:17710 145.10118:23353 147.08025:3155 151.14793:3611 155.08554:9215 157.10088:15290 159.11662:8988 169.10168:10859 171.11676:11632 173.13268:5457 181.10165:4304 183.1161:5164 184.07361:59618 185.07637:4696 185.13181:3161 189.29788:2895 195.11607:3509 197.13298:3474 199.14812:6116 211.14806:3641 212.34056:2822 239.23676:10411 282.27853:8877 284.22592:2954 303.86234:6654 313.27405:23828 352.26279:7053 383.26062:9543 401.50403:3021 403.6416:2746 406.74136:2924 621.48468:398161 762.49133:3036 PE 38:7|PE 16:1_22:6 2103 11.469 762.50702 [M+H]+ adduct linked to 2173_[M+Na]+; similar chromatogram in higher mz_2359 0.488 TRUE 8.54 762.50677 C43H72NO8P PE PMUXXFUNXMXIFC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 56.8 72.9 100 2684.11 5-08-18-2022-POS-Isaac-L02 762.50488:5688607 763.50823:3737644 764.51159:964101 53.03888:8137 55.05443:47454 57.07009:24853 65.03864:4609 67.05439:116508 69.07003:81714 71.0491:6967 71.08541:21740 79.05403:91317 81.06966:139792 83.04902:10204 83.08563:69639 85.06478:6997 85.10101:8201 91.05424:117224 93.06981:118610 95.04896:7650 95.0853:117843 97.06476:13572 97.1012:53345 99.08017:4576 105.06966:63999 107.04897:4439 107.08526:76555 109.10127:61182 111.08045:8246 111.11693:24465 115.05398:4652 117.07017:62097 119.08539:67604 121.06435:9407 121.10083:97905 123.08059:5567 123.11642:29163 124.99977:5587 125.09585:3881 129.06943:26859 131.08508:71082 133.10115:43500 135.07991:7439 135.11699:69476 137.09621:6188 137.1321:15407 139.11211:6963 141.07021:8433 143.08563:27842 145.1013:46314 147.08037:6205 147.11676:20590 149.13258:25302 151.14806:4220 153.12737:6918 155.08566:10834 157.10117:17932 159.11674:26726 161.1321:16397 163.14804:8481 165.09157:5290 167.08502:4679 169.10065:13728 171.11667:18474 173.13281:13333 175.14841:4479 177.16269:5302 181.10181:5439 183.11758:7965 184.07359:22889 185.13194:9881 187.14813:5231 197.13313:4892 199.14828:8473 201.16386:20408 209.13206:4473 211.14822:5425 219.20981:16696 223.96382:6951 225.16327:3791 237.22147:43607 247.2052:3734 280.26306:14950 311.25635:52591 354.27988:30526 385.27426:19301 395.14618:9529 416.25827:4379 434.26428:5745 452.27954:5800 461.7771:3712 521.29059:11613 621.48517:1199293 633.41394:6337 744.94342:3739 762.51453:5247 PE 39:6|PE 17:0_22:6 2149 13.381 778.53711 [M+H]+ 0.488 TRUE 9.33 778.53809 C44H76NO8P PE WVGREBRFGJNLSB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 57.2 72.4 100 517.52 9-08-18-2022-POS-Isaac-L06 778.53693:2864451 779.54028:1657044 780.54364:6036856 53.0024:3496 55.05446:13708 57.07009:51881 67.0544:49626 69.07004:16631 69.38194:3633 71.08549:52884 77.01564:2938 78.03577:2954 79.05441:36721 81.07008:55645 83.04902:4436 83.08565:22303 85.1011:34135 91.05423:53759 93.06982:38114 95.08532:59519 97.10119:20250 104.26659:2866 105.06971:26622 107.08531:20719 109.1013:39642 111.1169:8585 117.07011:27861 119.08538:30643 121.10081:10933 123.08058:3913 123.11652:17710 124.59489:3167 126.35122:2999 129.06953:10761 131.08589:37917 133.10118:17069 135.08073:3896 135.11699:5473 137.1324:6247 143.08562:9510 145.1012:18962 147.11674:6887 157.10088:10415 159.11691:17198 161.09592:3661 161.13214:6582 164.15614:2788 169.10181:5552 171.11688:7076 173.13281:6467 183.11624:6667 184.07368:4284 185.13193:5832 195.90424:2913 199.14827:3102 201.16231:4516 213.1636:3450 217.50572:3269 253.25174:9515 262.60461:3026 265.16333:3276 276.73059:3308 293.22614:2947 296.29584:8766 311.23895:3268 319.15033:3093 327.29044:25733 354.28061:15361 358.79028:3488 385.27509:15340 404.50085:3055 450.29822:4403 528.29877:2992 535.23657:3124 547.44604:3460 585.578:3335 637.51569:563211 755.29852:3775 760.54034:3667 763.19312:4713 778.54126:3603 PE 39:7 2143 12.112 776.52026 [M+H]+ 0.488 TRUE 8.95 776.52252 C44H74NO8P PE XOUDAZVFABMKEQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 89.1 99.9 52.4 69.2 100 300.62 21-08-18-2022-POS-Isaac-L17 776.52277:1455102 777.52612:799159 778.52948:4512412 51.20468:2602 55.05438:8295 57.06999:6484 57.97297:3259 60.44357:2772 65.56859:2721 67.05441:26314 67.35924:2568 69.06994:14426 71.04904:3280 79.05405:18923 81.07001:24779 83.08553:11347 91.05424:22163 93.06989:17730 95.08526:22544 97.10113:8389 105.06955:13649 107.08575:7767 107.77732:2822 109.10121:9557 111.11681:6534 114.86729:2602 117.07004:11528 119.08529:11787 119.78243:3008 121.10137:12784 123.11714:4411 129.06944:5572 131.08507:17845 133.10114:4627 135.1169:9594 143.08549:5824 145.10118:8149 149.13242:4948 159.11662:5013 161.132:3953 173.13268:4403 184.07355:10336 207.94695:2923 208.51956:2795 209.91658:2906 226.96205:2601 246.67175:3369 251.23656:8218 292.00339:2839 294.28:5046 303.86234:6694 325.27222:11194 354.28015:6396 385.27426:5272 611.42853:3146 635.49927:222648 654.03027:2925 696.39563:3160 764.79083:3888 PE 40:4|PE 18:0_22:4 2206 15.617 796.58386 [M+H]+ 0.488 TRUE 10.87 796.58508 C45H82NO8P PE TVACGFJBGVEGCR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 53.4 73.7 100 1182.88 8-08-18-2022-POS-Isaac-L05 796.58386:5985756 797.58721:4170492 798.59057:1170836 55.05445:27695 57.07009:117528 60.081:6202 67.05445:88597 69.07003:47753 71.04908:6418 71.08549:104305 78.64319:14947 79.054:42050 81.06969:113411 83.08566:63614 85.10105:68286 86.0962:40517 91.05428:79358 93.06989:57921 95.08534:130586 97.06474:6173 97.10127:45478 98.55076:6492 99.08014:15087 99.11669:4755 105.06972:62220 107.08528:32698 109.10139:68121 111.08043:5732 111.11687:23460 117.07009:25938 119.08547:69475 121.10088:32108 123.11656:36756 124.99975:6089 125.13264:7459 129.06953:6271 131.08504:25446 133.10136:51099 135.11726:15113 137.13234:18746 145.10162:18558 146.98187:46842 147.11679:27687 149.13251:9608 151.14803:4812 157.10191:5791 159.11673:8202 161.13213:11816 163.14801:8930 171.11687:5411 173.1328:6901 175.14838:11955 184.07365:410892 185.07649:14820 185.13193:4320 189.16386:4799 201.16382:7946 203.17911:37406 215.17928:7851 222.41913:8325 228.99483:8313 267.26828:21166 297.25909:4065 310.30917:14576 315.26859:8169 341.30322:37173 358.30923:40137 371.29645:6759 389.30411:22417 464.31238:4472 482.32275:7688 591.53326:4902 613.52002:8993 655.5686:1074597 737.51221:6686 796.62317:21692 PE 40:5|PE 18:0_22:5 2202 14.622 794.56909 [M+H]+ 0.488 TRUE 10.11 794.5694 C45H80NO8P PE KYERVKWKQQBRQB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 56.4 71.7 100 1024.11 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O=C(OC(COC=CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 50.7 85.9 100 204.95 23-08-18-2022-Pos-QC02 772.52795:793480 773.5313:591420 774.53466:95958 50.2687:2550 51.23439:2614 52.3006:2551 55.05439:4753 67.05434:21549 69.06962:4883 79.05439:16375 81.06992:19751 83.08513:4074 91.05415:18065 93.0698:13463 95.08521:20026 105.06959:7116 105.69618:2974 107.08516:10301 109.10122:7366 117.07004:6302 119.08535:13765 121.10073:7373 127.99936:2721 129.06944:5780 131.08585:11453 133.10114:8191 135.1169:3674 145.1012:6658 147.11665:4756 148.80643:2498 155.28375:2569 157.10075:3523 159.11662:3445 169.10051:2774 184.07365:39510 220.77928:2640 235.53604:2420 290.28342:7156 295.06201:2828 303.86234:6923 308.58249:3040 320.79074:2939 327.53873:3140 385.27448:92658 388.25909:29191 411.08679:3140 631.50946:4142 642.74872:3101 754.51862:3067 PE P-42:5|PE P-22:1_20:4 2230 16.615 806.604 [M+H]+ 0.561 TRUE 12.36 806.60577 C47H84NO7P EtherPE SYZKTPNEFMFVSV-UHFFFAOYSA-N O=C(OC(COC=CCCCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 31.4 84.8 100 109.23 23-08-18-2022-Pos-QC02 806.60583:778187 807.60918:498805 808.61254:200588 55.05461:3551 57.03368:9921 57.07017:24686 60.08096:5291 61.86096:2714 62.64987:3312 63.05537:2841 67.05432:12125 69.06993:7555 71.08533:23121 72.2335:2967 77.58474:3178 79.05431:7256 79.16498:2625 81.06996:12326 82.32769:2835 83.08553:4304 85.10093:15198 86.09649:29110 89.43068:2604 91.05415:7653 93.06973:11891 95.0857:15218 97.06468:3069 97.10114:3939 99.11663:3255 105.06958:5066 107.08575:5530 109.10121:7212 119.08529:7831 121.10144:6184 121.38667:3162 124.99967:9916 125.81914:2783 129.05449:3608 129.72691:2689 131.08585:4606 133.10114:8622 134.82314:2957 146.9817:20121 151.02531:2844 152.67358:3091 154.82877:3183 156.89801:2998 171.11676:2846 184.07344:330062 189.51057:3061 203.179:4580 242.14113:3177 261.70895:2923 303.89078:5556 336.36508:2711 348.36316:4772 361.27234:42809 368.94931:2927 387.28745:14129 392.29413:4772 404.61411:3039 415.3204:9241 420.32199:4968 446.33844:20617 491.50372:2955 623.50061:13118 642.30286:2935 665.58453:44439 747.49231:9227 764.55249:4060 806.56183:18530 PE P-42:6|PE P-20:0_22:6 2222 16.251 804.59076 [M+H]+ 0.634 TRUE 11.61 804.59021 C47H82NO7P EtherPE GWWKPJFGKBNJDJ-UHFFFAOYSA-N O=C(OC(COC=CCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 60.3 94.4 100 200.69 18-08-18-2022-POS-Isaac-L14 804.5899:826502 805.59325:500159 806.59661:238950 57.00479:2842 61.10019:2951 67.05433:14730 69.03359:3790 69.06993:4386 70.86904:2565 71.08538:3360 79.05393:8665 81.06966:13258 83.08513:3089 83.67492:2806 86.09655:5752 91.05421:14720 93.06983:13631 95.08521:8234 97.06468:4183 99.83669:2774 105.06959:6600 107.08516:8277 109.10122:3472 117.07005:4913 119.0853:10430 121.10145:6272 129.06944:5902 131.08504:7025 133.10114:7330 135.1169:4279 143.08551:3873 146.98193:14456 147.11665:5476 157.10182:2765 159.11662:2917 184.0739:19597 204.20583:2804 261.39789:3198 303.86234:4965 312.05975:2921 322.34769:15469 335.33099:4217 354.28015:2790 355.86765:2681 385.27475:122539 420.32291:47837 542.89502:2940 621.48456:12148 663.56982:4699 664.12988:3410 743.08002:3032 745.47791:8267 804.54871:12238 804.62219:5782 PI 34:2 2315 12.051 852.55884 [M+NH4]+ 0.488 TRUE 8.25 852.55969 C43H79O13P PI YHPPEKFMAUATQU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 57 69.8 100 167.43 26-08-18-2022-POS-Isaac-S03 852.55975:1503790 853.5631:899173 854.56646:329779 54.62689:3259 55.05439:3031 55.13144:2894 55.59136:2745 57.07006:15415 64.60576:2796 67.05433:19709 69.06994:8200 71.08538:18016 79.05394:3697 79.31341:2870 81.07002:24504 83.08554:10396 85.10095:8049 86.09613:3665 93.06974:3742 95.08524:24949 97.10115:4769 100.41813:2897 105.07017:2904 109.10126:14825 109.69517:3358 121.10074:4976 121.20883:2547 123.11716:8790 135.11691:3712 137.13145:3025 142.82953:2923 145.28433:2797 158.95731:2877 163.10989:3108 172.19241:3149 175.14828:3743 181.46461:2832 184.07358:3974 222.74165:5381 239.23679:7578 263.23605:6557 312.40033:2923 313.27359:3294 425.52289:2896 575.50214:176684 626.90912:3323 PI 36:2 2360 13.391 880.58856 [M+NH4]+ adduct linked to 2336_[M+H]+ 0.488 TRUE 8.66 880.591 C45H83O13P PI MTZOYTZXXAANDJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCC=CCC=CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 57.3 69.9 100 304.18 30-08-18-2022-POS-Isaac-S07 880.5896:994868 881.59295:597442 882.59631:153079 50.61642:2798 55.05442:2764 57.07002:9027 61.96193:2948 64.72302:2791 69.06997:3228 71.08542:10939 81.06961:12430 83.08517:4286 85.10098:4937 85.20179:2972 87.24528:2792 93.06978:3148 95.08537:13822 97.10119:3643 105.06964:3189 109.10127:6821 111.11625:3310 112.08451:3026 123.11722:5397 144.40851:2599 149.13251:3708 265.0289:3017 291.36176:3162 291.92322:2903 347.62808:3064 378.21228:3457 439.76633:3097 603.53778:86639 PI 36:4 2354 11.855 876.55914 [M+NH4]+ 0.488 TRUE 8.22 876.55969 C45H79O13P PI XVKABIPRYODIOB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 42.2 69.9 100 429.29 28-08-18-2022-POS-Isaac-S05 876.56012:804306 877.56347:533272 878.56683:136857 57.07025:9944 65.93323:2407 67.05435:6647 69.06996:3500 70.91167:2751 71.08573:9555 77.46752:2850 79.05396:5633 80.80576:2901 81.06999:8184 83.08556:4329 85.10139:8873 91.05419:7583 93.07025:5754 95.08574:11725 105.06962:5001 109.10125:4651 111.7578:3151 119.08534:9973 147.83582:2772 149.66769:2886 203.18063:4918 217.79004:3145 225.04172:5003 225.05258:3323 239.23685:3646 282.53595:2869 313.27319:32132 383.29703:3158 402.30432:2937 599.50519:70520 635.79071:3079 805.49304:3063 PI 38:3 2408 13.736 906.60388 [M+NH4]+ 0.488 TRUE 8.68 906.60663 C47H85O13P PI NPWRWGXDFKJOGR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 52.2 70 100 145.42 38-08-18-2022-POS-Isaac-S14 906.60669:785014 907.61004:524220 908.6134:168348 57.07018:8204 67.05427:3989 71.08564:8596 74.47341:2812 81.06989:9329 87.07001:3158 91.05408:3045 93.06966:5240 95.08563:9882 97.10106:3053 102.06667:3661 109.10113:4613 113.03437:2849 119.30104:3112 121.10135:3759 123.11632:3864 130.31094:3029 133.10103:2938 135.11678:2892 145.10107:3706 146.98157:3483 341.30646:3067 501.99213:3694 508.73074:2984 622.68335:3056 629.54633:56847 PI 38:4 2404 12.807 904.58942 [M+NH4]+ ion correlated with 2188; adduct linked to 2372_[M+H]+ 0.488 TRUE 8.45 904.591 C47H83O13P PI DLTKHZSJDRZTDM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 44.9 70 100 12130.5 9-08-18-2022-POS-Isaac-L06 904.58942:34530120 905.59277:20188376 906.59613:6553610 53.0024:15070 55.0545:85060 57.03371:19759 57.07011:397899 67.05446:220210 69.06975:130645 71.08551:305765 79.05407:136892 81.06974:303745 83.08525:132681 85.1011:236986 91.0543:252433 93.06988:154710 95.08537:396438 97.06475:31129 97.1013:134237 105.06978:166900 107.08535:94341 109.10131:191563 111.11717:56922 113.05583:18739 117.06956:63770 119.08546:215044 121.10085:76891 123.11658:108283 125.13265:12216 129.06953:38215 131.0853:79262 133.10129:146802 135.11699:30537 137.13239:37924 143.0856:30404 145.10133:60340 147.11681:70718 149.09636:13129 149.13252:14443 151.14803:17744 155.00999:25487 157.10086:37138 159.11674:20193 161.0959:20087 161.13213:38264 163.14803:12829 165.16444:12969 171.11688:42154 173.1328:13461 175.14839:30559 185.13193:24159 187.1481:16758 189.16386:19666 199.14825:13936 201.16383:15085 203.17905:157741 215.97273:12253 222.65793:14645 222.66862:34259 231.38507:11318 267.26892:49111 269.22675:70534 285.2785:20640 287.23615:18534 339.28848:12868 341.3035:1148843 343.26154:17708 361.27286:12494 395.31485:45726 627.53339:2221937 796.0423:10803 820.27228:14240 PI 38:5 2400 12.19 902.57428 [M+NH4]+ 0.439 TRUE 8.24 902.57532 C47H81O13P PI VQQYLRVDQYUPMC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O)CCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 42.7 69.9 100 1204.79 9-08-18-2022-POS-Isaac-L06 902.57391:4429013 903.57726:3545050 904.58062:1055446 52.13171:3038 53.03888:5640 55.05443:14227 57.03372:5955 57.0701:77456 59.84446:2854 67.05415:47824 69.03333:3455 69.06969:23502 71.08551:54861 73.41578:3639 79.05408:43978 81.06972:63176 83.08561:27619 85.10108:42319 89.93502:3152 91.05433:49699 93.06994:42593 95.08535:79064 97.06475:6379 97.10126:30037 105.06974:36129 105.71375:3086 107.0854:22005 109.10127:45328 111.1169:8554 117.06955:36747 119.08535:37904 121.10097:18898 123.11679:18458 126.73021:2998 129.06953:12925 131.08527:37941 133.10143:19371 135.11699:8808 137.13239:5593 141.06929:3297 143.08562:11039 145.10136:24194 147.11674:7766 149.13252:3146 155.00999:4835 157.10088:10089 157.96588:3001 159.11671:20134 161.13214:3145 168.93785:3545 169.10063:4781 171.11688:11969 173.13281:11999 185.13193:10257 197.13312:4138 199.14827:3596 201.16425:17601 227.89935:3246 236.08826:3417 249.25838:3705 252.30682:3271 267.21014:6815 267.26877:8287 272.24149:3073 276.77258:3145 283.26401:7901 292.159:3171 297.87909:3395 303.86539:8766 339.28851:6349 341.3035:211618 391.98178:3424 393.27222:3047 395.31485:9432 569.9472:3307 625.52136:413322 SM 33:1;2O|SM 17:1;2O/16:0 1960 11.864 689.55768 [M+H]+ 0.439 TRUE 8.58 689.5592 C38H77N2O6P SM RXLZIONNUYYHHW-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 82.1 63.7 100 688.65 8-08-18-2022-POS-Isaac-L05 689.55756:5830979 690.56091:2791562 691.56427:466628 56.04965:2741 58.06458:3954 58.066:5512 60.08102:50917 66.76264:3195 71.07288:7067 73.88911:3468 76.79805:2506 86.09622:188470 91.0738:3117 95.08527:3166 98.9844:5660 104.1068:29211 106.35553:2920 114.91034:3167 123.11723:2914 124.99974:94970 159.99521:3051 177.58366:2915 184.07365:2584653 192.81927:3065 208.43245:3768 221.12144:13520 250.25417:4052 288.77359:3187 303.88812:4379 317.79575:3224 336.03769:3145 353.08783:2862 448.87051:3390 548.47882:11341 572.09326:3155 668.2005:3177 671.55096:5355 689.56409:18029 SM 34:0;2O 1983 13.161 705.59039 [M+H]+ 0.561 TRUE 9.41 705.59052 C39H81N2O6P SM JIOJUELCHJZSCJ-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 96 99.9 82 64.1 100 361.63 16-08-18-2022-POS-Isaac-L12 705.59027:2100290 706.59362:1062244 707.59698:270150 59.14168:2809 60.08097:10451 61.14894:2375 63.86514:2901 67.2869:3220 70.35687:2920 86.09621:37051 104.10669:5469 112.0781:2841 121.56133:2680 124.99961:20624 131.3085:2890 132.99901:2557 179.96886:2627 184.07358:515128 185.07642:3743 340.19592:3194 373.63461:2780 375.29163:2795 705.59113:4912 SM 34:1;2O|SM 18:1;2O/16:0 1981 12.365 703.57257 [M+H]+ adduct linked to 2023_[M+Na]+ 0.512 TRUE 12.327 703.57153 null null RWKUXQNLWDTSLO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.6 99.8 null null null 4881.78 40-08-18-2022-POS-Isaac-S16 703.57385:15915794 704.5772:8893470 705.58056:2070861 56.01422:4924 58.06449:8097 58.06615:15622 59.07404:5700 60.08091:177963 69.83574:5090 71.07301:37857 73.58547:5497 77.83583:5755 86.09646:727371 86.25239:5724 98.98425:12373 102.34787:5272 104.10714:97818 120.9491:5918 124.99954:356594 183.3476:8891 184.07338:8380107 184.8035:10289 191.82956:5545 197.8763:4985 206.52472:6459 212.44836:5112 264.26819:21481 303.86206:13896 311.57767:5346 396.689:5792 397.66202:6492 417.2623:6108 685.56317:14564 703.57288:39735 SM 34:2;2O|SM 18:2;2O/16:0 1976 11.41 701.55823 [M+H]+ 0.488 TRUE 8.49 701.5592 C39H77N2O6P SM RYPRHPLEPBYJJE-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 100 81.9 62.3 100 313.52 23-08-18-2022-Pos-QC02 701.55762:1851182 702.56097:861612 703.56433:218955 50.32077:2737 50.75062:2812 52.4583:2639 57.18264:2822 58.95752:2833 59.39591:2611 59.78309:2516 60.08078:15182 60.17832:2386 61.76783:2364 63.88705:3619 66.56712:2558 67.31001:8433 80.37155:2777 81.16761:2636 86.09622:70167 92.97774:2592 104.10667:9020 112.28345:2553 124.99973:34124 161.74641:2837 168.70694:3109 175.29395:3256 184.07353:884244 201.28627:3704 202.49815:2647 211.57198:2602 227.59845:2820 262.25296:3794 303.86234:5839 314.83002:3029 683.55438:3562 695.08545:2816 701.55383:4745 SM 36:1;2O|SM 18:1;2O/18:0 2034 14.421 731.60681 [M+H]+ 0.537 TRUE 9.72 731.6062 C41H83N2O6P SM LKQLRGMMMAHREN-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 81.2 62.2 100 3515.85 19-08-18-2022-POS-Isaac-L15 731.60602:15669003 732.60937:8641687 733.61273:1908913 56.0496:4076 58.06429:5818 58.06619:8033 59.07384:3646 60.08095:103863 67.7907:3126 71.07282:14085 86.09652:428411 98.98431:8805 104.10663:70628 104.24649:3693 111.54178:3549 123.41685:3189 124.99961:230546 146.81535:3547 163.85487:4177 180.22437:3458 183.34772:7508 184.07349:5105810 184.80362:5996 217.2612:3488 221.28902:3277 264.26834:14301 272.15927:3704 335.92169:3190 339.12384:3617 384.24112:4031 461.02646:3606 530.52802:6896 590.52234:6802 602.44708:3702 713.59637:11210 731.60535:31252 SM 36:2;2O 2028 12.833 729.5899 [M+H]+ 0.463 TRUE 9.17 729.59052 C41H81N2O6P SM XQOXLMJGXXCULS-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 95.1 99.9 80.3 60.7 100 59.9 5-08-18-2022-POS-Isaac-L02 729.5899:1994581 730.59325:1058468 731.59661:249545 54.12885:3016 60.08102:13854 62.08283:3398 63.89149:4597 66.17303:2939 67.31125:6255 71.0729:4128 72.95403:3225 86.09628:68667 88.93436:2463 90.28169:2498 94.57076:3367 103.14753:3047 104.10677:8761 106.32554:2542 124.99979:34593 126.96797:2871 139.77592:2817 147.50644:2557 157.82639:2653 184.07372:851612 199.21771:3359 207.22469:2945 220.11183:14279 245.62924:2583 308.48096:2970 390.2587:3319 393.32672:3132 461.4577:2946 509.44684:2850 729.58856:5130 SM 38:2;2O 2094 14.476 757.61987 [M+H]+ 0.463 TRUE 9.93 757.62183 C43H85N2O6P SM NHSCWGDDNXHWDH-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCC=CCCCCCCCCCC 420 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 51.2 70.4 100 157.51 14-08-18-2022-POS-Isaac-L10 757.61963:882509 758.62298:380945 759.62634:131030 57.07002:4960 58.12613:2697 60.08098:8534 64.92417:2601 67.26026:5325 71.08541:4137 72.0513:2763 76.32014:2798 86.09622:43206 93.51623:2847 95.08525:3376 104.10672:7246 124.99976:18994 130.5694:3387 146.9817:26151 160.30742:2566 183.98251:2828 184.07362:622025 185.07645:3348 303.8653:9649 313.46426:2953 350.43875:3234 366.34985:2932 422.84058:2889 552.50684:5098 574.48785:8843 616.54333:16469 698.48212:7761 739.60223:3178 757.55438:14001 757.62128:11464 SM 40:1;2O|SM 18:1;2O/22:0 2181 18.451 787.66827 [M+H]+ 0.463 TRUE 12.08 787.66882 C45H91N2O6P SM FJJANLYCZUNFSE-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 82.4 60.5 100 1059.45 10-08-18-2022-POS-Isaac-L07 787.66815:11580680 788.6715:6802056 789.67486:1749041 51.74552:4067 56.04964:3477 58.06623:9292 59.07364:6116 60.08104:76032 71.073:17560 86.09624:365940 98.98439:10101 104.10679:82358 124.99974:156249 179.70741:3934 183.35052:6519 184.07362:6153294 185.07648:68556 264.26855:13570 303.89093:5167 315.77698:4244 377.34906:3426 409.5166:3515 661.40088:3791 769.66223:13674 787.64569:33421 SM 42:1;2O|SM 18:1;2O/24:0 2255 36.867 815.70001 [M+H]+ 0.463 TRUE 12.94 815.70007 C47H95N2O6P SM QEDPUVGSSDPBMD-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 97.2 81.3 55.8 100 34.87 16-08-18-2022-POS-Isaac-L12 815.69958:868367 816.70293:881303 817.70629:259635 58.06454:3621 60.08103:45451 61.12969:3376 71.07284:9589 72.9824:2776 77.83591:3223 83.65644:2915 86.09619:205022 91.56514:2914 98.98434:6407 99.0404:3801 104.10674:24813 114.69106:3223 120.45591:3558 121.79114:3250 124.99971:109058 161.48724:3223 184.07356:2422928 185.07626:21440 186.07788:5790 214.58894:3171 264.26843:5244 303.8652:12120 339.72818:3413 367.25095:3220 389.01981:3451 443.19687:3060 581.33356:3833 630.54797:7473 697.06696:3995 702.75238:3260 766.10956:5695 797.69604:3842 815.70056:5988 SM 42:3;2O|SM 18:1;2O/24:2 2246 16.734 811.66907 [M+H]+ 0.463 TRUE 11.28 811.66882 C47H91N2O6P SM PNUJDINUZYVQHI-UHFFFAOYSA-N O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.9 83.7 63.8 100 680.04 8-08-18-2022-POS-Isaac-L05 811.66907:8833584 812.67242:4676012 813.67578:1280126 50.41636:3745 58.06433:8060 58.06623:10125 60.08103:84839 71.07289:16698 86.09621:337809 87.09979:4484 93.8604:4206 98.98439:6586 104.10677:59531 124.99976:178134 146.98177:15985 184.07365:6011844 185.07642:37452 222.18781:13148 262.25311:5622 264.26855:7114 284.10007:3857 628.53027:8778 793.6604:12690 811.60217:19641 811.66418:56680 SM 43:7;2O 2258 19.592 817.61029 [M+H]+ ion correlated with 2204 0.512 TRUE 19.633 817.60706 null null IGWHSKKBOICQQB-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 95.9 95.8 null null null 590.56 8-08-18-2022-POS-Isaac-L05 817.60992:8415887 818.61327:6851552 819.61663:2118389 56.0465:2773 60.081:6950 76.92864:3178 78.33674:10940 84.66483:5968 86.09631:15339 89.84169:3104 124.99976:7496 136.77879:3445 171.91994:3172 181.38602:5309 184.07372:175566 185.0768:32017 186.078:6853 222.79533:8902 235.4877:2990 257.07834:8203 272.10168:3880 325.14023:3874 340.1658:4432 347.68729:2857 351.0524:3241 440.14288:3622 666.54401:6479 696.39612:3092 779.43994:3705 817.60553:1135038 ST 27:1;O 1076 12.338 369.35153 [M+H-H2O]+ similar chromatogram in higher mz_2002 0.683 TRUE 12.296 369.35037 null null HVYWMOMLDIMFJA-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.4 97.4 null null null 124.5 30-08-18-2022-POS-Isaac-S07 369.35144:971445 370.35479:366796 371.35815:52268 57.07002:2261 58.63544:2213 69.06997:3409 71.08574:3565 71.59843:2042 81.06962:11824 83.08517:5821 85.10098:3028 93.06978:3734 95.08545:12211 97.10119:3230 107.08581:2299 109.10127:11046 110.28533:2342 111.11687:4072 111.65515:2141 119.08536:2419 121.10151:4259 123.11648:5228 123.41842:2265 133.10121:3954 135.11697:10278 137.13237:2250 143.48331:1983 147.11694:17569 149.13232:9931 152.75876:2402 161.13229:18616 163.14799:2653 175.14836:7977 177.16389:2937 201.1638:2156 203.17911:3970 215.17924:4278 229.19583:2729 233.22482:2209 234.01453:5587 257.22662:4065 259.24265:3486 273.25699:2839 312.29675:2526 367.50818:2493 369.35336:42934 TG 42:2|TG 8:0_16:0_18:2 2043 19.717 736.64301 [M+NH4]+ 0.488 TRUE 13.33 736.64502 C45H82O6 TG HANCQHITNUBWIC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 71.2 89.9 100 351.64 17-08-18-2022-POS-Isaac-L13 736.64313:3194434 737.64648:2717076 738.64984:678617 51.1314:2856 55.05442:15311 57.07022:209888 58.44858:2770 67.05432:95163 67.96453:2715 69.06993:30021 71.0857:53095 71.6498:2811 75.20507:2956 75.21453:2786 79.05436:18467 81.06995:118692 83.08549:40904 85.06471:3177 85.10137:30106 91.05462:7880 91.69556:2865 93.06979:19356 95.08568:112429 95.72851:2928 97.06468:5337 97.10112:29212 99.08062:7138 100.36515:2826 102.12767:2919 105.06959:8459 107.08583:17276 109.10119:97333 111.11682:8019 112.78265:3353 119.04763:3000 119.0853:10527 121.10134:22704 123.11708:42487 125.13256:3798 125.18142:2922 127.11155:116521 128.53195:3121 133.10114:13174 135.11662:16810 136.71431:3473 137.13226:17327 140.02097:2672 145.12277:3616 147.11665:8649 149.13242:12662 151.14793:6195 153.12724:2706 161.13202:9695 163.1479:8162 165.16319:4166 167.28217:3126 175.14827:7058 179.55225:2997 190.60764:3113 201.14838:9003 203.01112:4251 203.179:4320 207.17487:3073 239.23682:22117 245.22623:15024 263.23575:36801 291.94717:3311 294.40472:3151 313.27356:9820 319.2634:6071 337.27426:4663 371.32693:3037 437.36023:6014 439.38:251213 451.1763:3196 463.37881:335378 470.40802:3221 550.82343:2644 575.50208:263790 627.35583:3422 TG 44:1|TG 10:0_16:0_18:1 2121 21.363 766.69171 [M+NH4]+ 0.463 TRUE 13.8 766.69189 C47H88O6 TG PBCMCGPSXULJSG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 59.4 89.8 100 172.39 18-08-18-2022-POS-Isaac-L14 766.69196:1727864 767.69531:1463940 768.69867:448807 54.85735:3408 55.05439:6577 56.08612:2667 57.06996:39836 62.01508:2602 67.05431:24316 69.06988:20958 71.08534:48017 72.88644:2909 75.57367:2670 79.05393:3694 79.70921:3155 81.06993:42608 83.08549:30627 83.48788:3281 85.1009:24501 93.06973:4326 95.08563:51647 97.10103:20868 102.12754:25966 103.13113:7736 106.88023:3264 109.10117:28275 111.11681:11272 117.82914:2791 121.10144:12156 123.11708:17366 125.21375:2668 135.11716:16468 137.13229:10895 141.68822:3187 149.13242:5394 151.14793:6528 155.14252:27231 155.81381:2831 165.16434:2884 178.76059:2823 202.10738:4066 215.33849:3366 219.29179:7330 219.30573:12874 219.82967:2817 237.22154:5386 239.23676:8060 247.24255:4963 265.25299:13288 281.00488:2760 283.26379:3572 303.86801:3114 340.32053:5557 341.32364:3422 467.41025:121509 493.42206:167340 495.43988:33796 504.29465:3103 521.45648:40861 549.48639:24231 560.31256:3161 577.51544:124039 690.45581:3013 766.59924:5624 TG 44:2|TG 10:0_16:0_18:2 2111 20.599 764.67578 [M+NH4]+ similar chromatogram in higher mz_2475 0.488 TRUE 13.59 764.67627 C47H86O6 TG NYEYZZJCSHLJCF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 53.6 94.6 100 70.94 6-08-18-2022-POS-Isaac-L03 764.67651:779344 765.67986:696566 766.68322:199497 52.98729:2829 57.07011:17324 58.78227:2848 60.08075:10368 60.55982:2611 66.34557:3178 67.05424:13103 69.06968:9070 70.67733:11872 70.67924:5283 71.08555:18924 71.66158:2870 79.16617:2845 81.06972:22550 83.08519:5800 85.10101:10171 85.75201:2586 87.88041:3191 95.08542:29990 102.12787:272859 107.08524:3743 109.10086:14137 116.72413:2953 121.10082:4680 123.11678:12737 132.60558:2792 137.1324:3780 155.1427:12400 163.14803:2725 175.14841:3367 184.0737:3756 194.96855:2764 222.63834:2979 239.23695:3695 245.22469:3102 263.23624:6671 340.3208:6636 467.41119:52333 491.41113:63373 493.3577:2862 505.25693:3174 513.80762:3089 519.44275:5805 547.47357:5836 575.5033:63924 640.60278:3723 712.59534:3155 753.94104:3220 764.58716:4451 764.67792:4868 TG 46:1|TG 14:0_16:0_16:1 2203 22.111 794.72266 [M+NH4]+ similar chromatogram in higher mz_2266 0.561 TRUE 14.02 794.72321 C49H92O6 TG JYICXCHHKWVGEI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 64.7 89.4 100 487.12 7-08-18-2022-POS-Isaac-L04 794.72247:8281435 795.72582:6657409 796.72918:1598876 51.42868:3387 53.00219:7454 55.0542:47671 57.0698:225553 57.07142:27557 67.05377:98466 69.06935:123101 71.04876:6852 71.0851:226867 71.08767:19233 79.0536:17902 81.06922:202648 81.89518:4396 83.08518:149482 85.06434:9706 85.10057:133436 90.2338:3603 93.0693:32603 95.08531:283334 97.06423:4874 97.10125:115539 99.08015:5405 99.11669:7039 107.08578:25252 109.10127:161801 111.0798:7524 111.1169:53289 121.10143:64326 123.11712:85753 125.13188:10274 127.1109:5305 130.61269:5758 133.79552:6790 133.80132:6261 134.05759:3611 135.11681:61045 137.13213:44558 139.11121:6991 141.12685:3831 149.13216:23269 151.14702:12059 153.12633:4745 163.1469:8252 165.16328:9040 175.95496:3472 183.17398:16329 193.19493:6879 211.20494:59016 213.72771:4167 219.21136:15789 220.97853:4847 221.2256:7136 229.21632:3581 237.22208:48528 239.23769:38952 247.24063:5610 265.25186:22474 278.79303:3888 285.24225:10448 289.63422:4848 303.86252:5293 311.25659:4935 313.27374:9636 370.5946:4297 433.18292:4316 468.03494:3625 493.42819:7413 495.44092:160293 521.45685:668238 523.46997:411576 549.487:573926 551.50568:33066 577.51569:98416 605.54718:9440 732.63391:4155 763.71387:4452 792.83295:3703 TG 46:2|TG 12:0_16:0_18:2 2196 21.392 792.7052 [M+NH4]+ 0.659 TRUE 13.82 792.70758 C49H90O6 TG JORMHQSOEAESEA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 52.2 89.8 100 718.51 7-08-18-2022-POS-Isaac-L04 792.70599:14175134 793.70934:10433009 794.7127:3057754 53.00219:10091 57.03348:7256 57.07007:373060 67.05438:279031 67.26857:5437 69.06997:143101 71.04908:8229 71.08543:322113 71.08864:12113 74.31369:5407 79.05431:62652 81.06996:437982 83.08553:168031 85.06434:19821 85.10134:187826 91.05414:26034 93.06967:84596 93.89995:5341 95.08562:546923 97.06423:13088 97.10105:111472 99.08015:11886 99.11669:10751 105.07009:32220 107.08558:51384 109.10107:324437 111.07979:13781 111.11667:38416 113.09583:13348 113.13264:8131 119.08577:28548 121.10126:77072 123.11693:157536 123.44199:5539 126.80375:7578 133.10083:41851 133.30341:7167 135.11662:52729 137.13272:63967 139.11119:7040 147.11707:31099 149.1328:32767 151.14867:21904 153.12733:8630 155.14267:7781 161.13269:34298 163.14864:33342 165.16351:24401 175.14746:24380 177.16391:7542 183.17387:109382 189.16385:7350 193.19493:7876 211.20616:66304 219.93657:5614 222.76674:5677 222.77745:15894 237.21973:6073 239.23701:40428 245.22679:44256 257.21112:21799 263.23654:112295 285.24225:20115 301.15683:7927 313.27374:19452 319.26358:18871 337.27448:13774 387.33682:8289 491.40976:36880 493.4223:16764 495.44064:783090 519.4425:681945 521.45642:53686 547.47345:589398 549.48401:23641 575.50177:544297 577.51556:6359 603.53455:27385 791.63593:5948 TG 47:1|TG 15:0_16:0_16:1 2240 22.456 808.73767 [M+NH4]+ 0.463 TRUE 14.21 808.73889 C50H94O6 TG RCYIETYFTUBXFK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 41.7 92.7 100 133.92 12-08-18-2022-Pos-QC01 808.73822:989418 809.74157:963636 810.74493:232838 53.84309:2982 55.05442:7738 57.07012:35572 57.58331:2874 62.90195:2483 65.31883:2508 66.21348:2951 67.0544:13010 68.7442:2742 69.07009:22390 71.08555:32752 71.41764:2815 79.16351:2796 81.06978:35416 83.08571:21068 85.10106:21693 85.98265:2801 93.06979:5262 95.08538:47902 97.10136:18156 107.08523:4334 109.10145:25405 111.11626:8196 111.26605:3419 118.636:3121 121.1008:9437 123.11654:13262 125.13264:3453 135.11697:10234 137.13239:4873 141.67834:2542 143.06538:2831 184.07367:11038 195.24355:2532 211.20586:7426 223.55952:2959 225.22128:3063 226.91081:3066 239.23691:3946 246.92166:2705 247.02583:3127 265.25372:5230 509.45447:29353 521.45667:3935 523.46954:21437 535.46985:60980 537.48468:31008 549.48828:60643 563.50281:45308 577.51562:11786 584.0672:2873 765.48438:4608 808.71808:3277 TG 48:0|TG 16:0_16:0_16:0 2275 23.543 829.72522 [M+Na]+ 0.561 TRUE 23.593 829.72229 null null PVNIQBQSYATKKL-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.1 95.1 null null null 276.39 6-08-18-2022-POS-Isaac-L03 829.72473:829719 830.72808:783060 831.73144:205985 57.07004:12778 57.47744:2615 64.60106:3045 67.05437:7002 67.80486:2742 69.06998:6033 71.08544:12078 76.54543:2761 81.07002:10346 83.0856:7689 85.10101:9114 93.0698:2899 95.08531:13655 97.10122:7096 107.08584:4924 109.1013:10183 112.49845:3197 121.10154:4377 123.11651:3880 124.26335:3187 144.8511:2619 145.79716:3033 147.11676:3322 153.01147:2549 170.28128:2705 184.07336:13553 190.98128:2870 222.25011:8455 239.23695:3034 348.98553:3136 409.26328:3114 474.1825:3005 476.6084:3223 480.06769:2701 503.49359:2951 551.50488:32050 573.48523:26739 688.59998:3021 829.72308:117457 TG 48:1|TG 14:0_16:0_18:1 2267 22.787 822.75159 [M+NH4]+ similar chromatogram in higher mz_2309 0.976 TRUE 14.28 822.75452 C51H96O6 TG GPXZOHHIWJNYTJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 67.5 88.8 100 3510.33 40-08-18-2022-POS-Isaac-S16 822.75366:1215969 823.75701:1141558 824.76037:363614 52.96982:2520 55.05457:5403 57.07023:27882 57.69246:3053 59.39292:2600 63.98882:2319 67.05428:10928 69.06991:14069 71.08572:22931 74.13921:2639 79.71985:2913 81.06995:18168 83.08557:13467 85.10134:15280 85.72887:3087 86.00993:2646 87.98873:2669 93.06967:3134 95.08562:24543 97.10107:10159 104.93032:3138 106.82205:2824 109.10111:17819 111.11674:4122 117.66994:2573 121.10136:5949 123.11707:6638 135.11681:4801 137.1322:3944 137.6188:2616 149.70882:2751 211.20558:3181 239.2366:7112 239.91937:3194 265.25107:3731 290.74304:3095 523.46997:47658 549.4873:74464 551.50391:14939 577.51526:41133 724.35822:3203 TG 48:2|TG 14:0_16:0_18:2 2266 22.132 820.737 [M+NH4]+ 0.878 TRUE 14.08 820.73889 C51H94O6 TG YUIIXXZIUIOJQY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 69.8 90.2 100 3948.03 8-08-18-2022-POS-Isaac-L05 820.73785:11842467 821.7412:6889881 822.74456:1845421 51.4267:6452 53.0026:14253 55.05446:75411 57.03394:6615 57.07009:410873 65.0389:7557 67.05418:281713 69.06978:173550 71.0494:7311 71.08555:332308 79.05417:52737 81.06979:428281 83.08536:161980 85.06518:16722 85.10119:210769 91.05397:27556 93.07001:71282 95.08552:505777 97.06525:12528 97.10094:111569 99.08068:15568 99.11722:16570 105.06987:21649 107.08557:51639 109.10102:275436 111.08042:8955 111.11659:58778 113.09648:6448 119.08557:26607 121.10118:81567 123.11693:161574 125.09657:5931 125.13263:17281 133.10085:43837 133.81461:9585 135.11668:51202 137.13214:65631 140.30341:9631 141.12775:5141 147.11639:29867 149.13225:34151 151.14761:30332 161.13274:32477 163.1479:22089 165.16443:10970 175.14781:29546 177.16391:6169 189.16385:9882 193.15889:7747 193.19637:6502 211.20547:94422 214.21999:5690 220.03815:14157 220.05217:7156 221.22736:7135 229.21632:6844 237.22168:4787 239.2363:65641 245.22626:41161 263.23795:88678 279.52411:7363 285.24197:32604 288.80518:7191 313.27347:25502 319.26355:13857 337.27448:6385 519.44263:12869 521.45667:27309 523.46985:836066 547.47363:874135 549.48749:71145 575.50238:772149 577.52301:8000 603.5365:9731 TG 48:3|TG 14:0_16:1_18:2 2264 21.38 818.72131 [M+NH4]+ 0.829 TRUE 13.88 818.72321 C51H92O6 TG IWSNEFQVYNGXGZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 43.4 88.4 100 1284.12 39-08-18-2022-POS-Isaac-S15 818.72369:717846 819.72704:656245 820.7304:215128 50.6442:2524 53.06452:2821 53.95751:2512 55.05456:7232 56.64855:2480 57.07017:14661 58.68384:2797 67.05429:19797 69.06992:21292 71.08565:10608 75.00272:2751 79.05425:4827 81.06991:30407 81.32952:2930 83.08547:11664 84.74756:2779 85.10129:9342 86.87148:2669 93.06966:7604 95.08556:34391 97.10106:12113 102.12759:6447 102.85164:3193 107.08508:6312 109.10108:19857 111.11673:6732 121.10135:10959 123.11705:12537 124.05002:2714 127.10611:3012 127.1115:2769 133.10104:4464 135.11679:6125 137.13306:6121 149.13229:4322 163.1489:3182 164.45776:2739 174.3681:2967 178.07732:3030 184.07341:3303 188.577:3209 193.68568:3115 193.69727:2756 211.20555:2604 219.0443:2460 220.73508:2604 223.33508:6061 230.10342:2670 237.22331:3279 251.27271:2548 263.2381:9514 291.96567:2933 300.54297:3370 319.26312:3182 519.4425:22098 521.45593:51937 545.45667:6536 547.47308:42589 573.48499:25477 575.50116:4474 601.51947:22095 603.87012:2954 660.72485:3259 TG 48:4|TG 12:0_18:2_18:2 2256 20.667 816.70654 [M+NH4]+ 0.488 TRUE 13.71 816.70758 C51H90O6 TG QYGNVKAJARKXER-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 47.7 83.5 100 98.43 7-08-18-2022-POS-Isaac-L04 816.70746:5877728 817.71081:4584095 818.71417:1284411 53.0024:5387 53.03887:4509 55.05446:45638 57.07007:90793 60.081:3984 67.0544:198690 69.07002:78133 71.04941:6338 71.08546:59187 72.32756:3777 75.15543:3544 79.0544:45107 81.07004:238559 83.04901:6152 83.08565:82842 85.06476:8781 85.10105:34920 86.09619:18488 91.05421:24075 91.7673:3226 93.06982:58914 95.0853:244684 97.06474:11644 97.10126:50973 99.08015:10357 105.06963:18389 107.08526:47818 109.10131:159157 111.08043:9752 111.11668:15248 113.09584:8761 119.08545:25952 121.10155:66134 123.11652:71409 124.99975:13250 125.09583:9739 127.11168:5334 131.08592:4931 133.10143:30869 135.117:53321 137.13243:30288 147.1167:35079 149.13231:24128 151.14809:16109 153.12733:8167 156.2597:3534 161.13194:25873 163.14816:26308 165.1633:9091 175.14824:21026 177.16393:4363 183.17473:41456 184.07358:218768 185.07686:17791 186.07799:3883 189.16386:7896 193.15891:4505 201.16534:3527 209.19048:3929 219.21002:4946 237.22169:8386 237.45134:3730 243.21082:5260 245.22624:26217 257.21136:23484 261.22119:8813 263.23615:60589 286.71158:3706 290.47217:5170 319.26358:10556 337.27448:13317 404.04703:4003 427.12979:3628 487.93799:3763 517.42627:17114 519.44257:565368 521.45667:8050 545.4574:69966 547.47351:6384 573.4845:61514 599.50586:231944 601.51208:8351 764.36011:5142 799.68359:9739 TG 49:1|TG 15:0_16:0_18:1 2294 23.102 836.77063 [M+NH4]+ 0.78 TRUE 14.38 836.7702 C52H98O6 TG IVRUJYRTYXTTIH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 67.7 88.8 100 610.01 40-08-18-2022-POS-Isaac-S16 836.76965:347218 837.773:328278 838.77636:50492 50.63105:2926 55.05435:3877 55.30894:2724 57.07016:17015 63.25011:3487 67.05428:7397 67.35712:2871 68.23932:2982 69.06988:8943 69.84421:2705 71.08563:13440 72.23971:2880 81.06987:13029 83.08548:12548 85.1013:6859 95.08565:16700 97.10107:8204 105.31217:2759 109.10114:12196 111.11674:3864 121.10136:3750 123.11707:6833 129.28378:2879 135.11681:3369 162.76033:3344 189.06868:3389 210.53493:2961 222.93611:9165 231.89761:3199 239.2366:4538 265.25339:3782 501.75079:3325 527.46472:2888 537.49023:35197 549.48621:4538 551.50372:4960 563.50189:57907 577.51587:33184 TG 49:2|TG 15:0_16:0_18:2 2289 22.469 834.75366 [M+NH4]+ 0.78 TRUE 14.23 834.75452 C52H96O6 TG DDWAXVHDVUVXSQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 69.8 90.1 100 514.24 33-08-18-2022-POS-Isaac-S10 834.7536:1003945 835.75695:1032391 836.76031:326966 55.05439:4597 57.07002:34956 57.30795:2774 61.28211:2993 67.05436:28427 67.38269:3083 69.06995:18166 71.08541:32823 79.05431:4766 81.06963:37371 83.08561:17210 83.26352:2773 85.10101:24267 91.24006:3027 93.06973:3792 94.86708:2841 95.08522:49632 97.10114:10891 109.10125:29910 119.08529:3444 121.10073:3951 123.11642:14314 126.00419:2906 135.1169:5937 137.13229:7737 163.03497:3234 165.16319:3123 175.14827:3320 224.41953:2921 225.22115:7203 239.23676:8669 263.23602:3927 266.88901:2945 291.65015:2910 313.27353:5119 324.26685:2782 432.50107:3007 518.62347:3629 537.49036:94352 547.47314:5665 561.48962:75629 563.50867:4660 575.50256:76513 591.58691:4571 TG 49:3|TG 15:0_16:1_18:2 2284 21.766 832.73798 [M+NH4]+ similar chromatogram in higher mz_2415 0.488 TRUE 14.02 832.73889 C52H94O6 TG CQSXCZMDDSQLAG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 38.3 90.9 100 635.06 16-08-18-2022-POS-Isaac-L12 832.73785:2647661 833.7412:2414692 834.74456:775544 55.05442:18703 57.07:39684 58.15729:3018 67.05432:63647 69.06997:41243 71.08539:40185 75.16134:3686 75.24326:2741 79.05432:15750 81.06999:79659 83.0855:44921 85.06472:3611 85.101:21860 85.14522:3125 85.87058:3022 91.05417:7113 93.06982:26764 95.08572:72622 97.06469:4202 97.10119:27009 99.08063:3332 105.0696:3904 107.08565:13592 109.10124:52745 111.08037:5084 111.1168:15862 119.08531:4259 121.10144:31950 122.4351:2834 123.11713:28687 133.10117:4794 135.1169:21818 135.27048:2578 137.13232:13192 139.11113:3387 147.11667:4296 149.13245:12932 151.14896:4278 153.12727:3312 154.72334:3398 161.13313:4201 163.14793:4552 165.16322:3876 175.14828:6313 184.07358:10307 189.16377:4364 205.19472:4237 222.70419:11532 225.22118:6925 230.19736:3003 237.22157:3937 245.22659:6129 263.23834:11190 287.94284:3117 295.92368:2898 299.25803:4759 312.01242:3235 313.27359:5096 337.27432:6870 389.34131:2873 454.97089:3284 533.4585:16520 535.4693:114194 537.48334:4312 545.45721:4896 547.47278:40510 549.48468:14855 559.47351:42142 561.4895:65255 563.50153:3331 573.48389:66615 575.50275:22289 577.52277:6480 587.50647:30255 601.51971:7851 815.71313:3475 TG 50:0|TG 16:0_16:0_18:0 2316 24.366 852.80005 [M+NH4]+ adduct linked to 2327_[M+Na]+ 0.634 TRUE 14.97 852.80151 C53H102O6 TG DQKMNCLZNGAXNX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 60.5 84.2 100 3319.34 31-08-18-2022-POS-Isaac-S08 852.80054:669792 853.80389:672963 854.80725:192734 51.00272:2523 56.39678:2804 57.07004:20493 63.01564:2422 64.49971:3095 67.05406:4983 69.06996:8253 71.08549:17910 81.07:10539 81.18492:2788 81.76444:2688 83.08557:10150 84.87723:2608 85.10098:11739 87.16527:2807 95.0858:16612 97.10118:7426 101.17706:3185 102.2647:2743 109.10127:6871 115.09039:2782 123.11721:4901 137.13322:3060 150.64156:3111 151.5498:2697 157.94772:3083 184.07365:5408 224.22305:5749 239.23688:7331 290.67419:3503 296.30945:3564 418.90109:2869 437.42426:3321 551.5047:48385 566.42834:3087 579.53278:61293 596.45215:3399 713.21844:3103 731.98492:3564 851.82373:3199 TG 50:1|TG 16:0_16:0_18:1 2321 23.458 855.73962 [M+Na]+ adduct linked to 2312_[M+NH4]+ 0.976 TRUE 14.62 855.74121 C53H100O6 TG YHMDGPZOSGBQRH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 58.4 73.2 100 713.96 7-08-18-2022-POS-Isaac-L04 855.73932:3348936 856.74267:2983377 857.74603:932786 55.05443:6340 57.07009:40450 57.63895:2827 63.99551:2804 67.05449:14139 67.68005:3010 69.07001:20578 71.08553:32568 73.7169:3005 75.61183:3083 81.06971:23284 83.0857:25167 85.10108:24539 95.08123:17093 95.08532:39004 97.1014:17426 97.42561:3900 106.58613:2769 109.10145:28042 111.1169:4982 121.10153:7345 123.11651:11039 135.11699:8382 137.1324:6294 151.14804:3287 165.16331:3705 168.88129:3092 239.23694:4345 265.25143:8230 296.5835:3210 303.86542:10790 341.37469:3358 433.29431:3120 551.50299:31240 571.46948:6344 573.48254:28742 577.52283:52412 581.52966:4957 599.49725:63721 719.25848:3478 736.25598:3304 764.25812:3982 827.58472:3115 855.74756:361558 TG 50:2|TG 16:0_16:1_18:1 2309 22.804 848.7674 [M+NH4]+ adduct linked to 2319_[M+Na]+ 0.756 TRUE 22.843 848.76697 null null TWJCMQZMAPGUSG-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.2 98.8 null null null 16248.38 6-08-18-2022-POS-Isaac-L03 848.76794:67584192 849.77129:73414048 850.77465:23143112 52.95148:57476 53.00239:61459 53.84945:34944 55.05443:620088 57.03371:50286 57.07004:3000965 57.55798:33218 65.03862:37416 67.05437:2179981 69.06999:1174329 71.0494:53065 71.08544:2704427 74.00003:32286 79.054:391897 81.06962:3212562 83.049:49866 83.08557:1776488 85.06476:99219 85.10098:1712610 91.05412:200524 93.06977:625963 95.08525:3760848 97.06474:93978 97.10117:925496 99.08015:112594 99.11669:121612 105.0696:178756 107.08518:383785 109.10123:2237062 109.58553:31811 111.08042:77740 111.1169:289962 113.09583:66033 113.13199:35944 119.08523:255509 121.10075:469483 121.59663:37716 123.11647:1271806 125.13263:107466 127.11167:31044 133.10106:346200 135.11688:398637 137.13242:521606 139.11208:41701 139.14819:51173 140.82405:102596 147.11674:236041 149.13222:192151 151.14789:246946 153.12733:51279 154.5696:29821 161.13197:244612 163.14796:173880 165.16409:144227 169.00975:30328 171.9175:29250 175.14841:227499 177.16391:63883 179.17969:45749 189.16385:75754 207.76048:42460 219.21175:36839 221.22559:109385 237.22168:42998 239.23662:885418 245.22682:286342 256.26379:72430 257.24655:45420 263.23587:685635 265.25372:33992 269.92944:61303 278.06729:34395 308.71365:32553 313.27325:520744 319.26355:116909 337.27448:69379 342.26682:41361 547.47363:147187 549.48779:198053 551.50415:5445300 575.50159:10637857 577.51648:206872 603.5365:101384 737.65192:30941 763.98584:37352 TG 50:3|TG 16:0_16:1_18:2 2308 22.101 846.75354 [M+NH4]+ adduct linked to 2313_[M+Na]+ 0.976 TRUE 14.1 846.75452 C53H96O6 TG HDFLQJUGWGNORO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 59.5 91.7 100 10420.71 38-08-18-2022-POS-Isaac-S14 846.75275:84592240 847.7561:75500320 848.75946:22843484 51.98122:32687 53.00252:72878 53.03878:46312 55.05456:773605 57.03362:54035 57.07018:1809937 58.48236:32031 65.0388:60679 67.0543:2549246 69.06989:1944699 71.04897:105625 71.08566:1310672 71.28326:32217 79.05422:617501 81.06991:4024262 83.04887:40417 83.0855:1890232 85.06462:102717 85.10133:817674 89.23841:32659 91.05401:226874 93.06967:882180 95.08563:3966555 97.06458:126677 97.1011:1205982 99.0805:191826 99.11653:37086 105.07019:188838 107.08563:707431 109.10114:2130792 111.08038:200848 111.11673:499010 113.0963:102403 119.08528:186415 121.10132:1312115 123.11704:1114642 125.09637:75331 125.13243:111613 127.11146:74415 133.1011:371220 135.11681:1132458 137.09596:45394 137.13219:601496 139.11185:101632 140.32103:68154 141.12753:60158 143.62067:64603 147.11635:208834 149.13232:547055 151.14772:180496 153.12724:172137 161.13297:195186 163.14778:283137 165.16415:114150 167.1427:83288 175.14819:199788 177.16364:92653 179.1794:38456 189.16354:70169 193.15858:42231 203.17879:54141 207.76015:42322 208.19969:50232 211.20551:99057 213.72736:40292 219.21156:243594 221.22701:41533 222.95569:83363 237.22122:519079 239.23634:342482 245.22647:282569 247.24231:62580 263.23795:591871 265.2533:92046 269.92902:37068 270.58008:37548 278.79257:50920 285.24179:89953 311.25876:218204 313.2738:300240 319.26306:124996 337.27393:122603 339.2879:66875 354.96448:37945 371.33807:35650 401.29642:32969 504.25769:38683 547.47314:1253553 549.48651:5249441 573.49103:4508500 575.50171:5161540 577.51465:47167 601.5199:837344 636.87549:37354 829.72162:47477 TG 50:4|TG 16:0_16:1_18:3 2305 21.429 844.73663 [M+NH4]+ similar chromatogram in higher mz_2491 0.976 TRUE 13.98 844.73889 C53H94O6 TG RHUJINIOQZVHBP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 28.5 89.6 100 4912.41 41-08-18-2022-POS-Isaac-S17 844.73938:6728172 845.74273:5591529 846.74609:1631830 55.0544:27574 57.03364:4162 57.07002:56948 61.25684:3322 62.86386:2825 65.03854:3548 67.05434:101647 69.06995:53982 71.08541:43588 75.16828:4162 75.40638:2813 79.05431:28879 81.06996:131602 83.08551:54724 85.06465:5154 85.10097:25147 87.62304:5308 91.05403:15909 93.0697:45152 95.0857:122910 97.06462:6496 97.10112:37754 99.08056:4973 105.06952:12991 107.0857:28503 109.02289:4158 109.10121:72765 109.43776:2995 111.08029:6684 111.11686:14505 113.09634:3780 116.63804:2938 119.08522:11950 121.10148:49626 123.11648:40951 127.11151:3432 131.08575:5049 133.10114:19847 135.11687:43307 137.1324:23622 147.11655:13862 149.13232:20528 151.14783:5892 159.11653:5046 161.13193:13356 163.14771:15881 173.13257:4022 175.14816:10107 177.1637:5229 189.16362:3839 196.91611:3644 211.20558:10209 217.1958:4422 219.20975:7216 223.78548:7317 235.20442:4448 237.22139:13199 239.2366:5395 243.21051:4921 245.22639:8092 261.22061:23621 263.23593:16441 264.64685:3372 265.25339:3612 272.4317:3287 285.24191:7155 296.83551:3166 311.25916:7424 313.27335:8802 317.24866:7929 337.27405:8914 339.28802:3594 345.43573:2957 545.45721:27920 547.47357:205747 549.48718:77002 571.46924:86457 573.48413:116263 575.50323:44076 599.50562:93279 694.49518:3281 TG 50:4|TG 16:0_18:1_16:3 2304 21.828 844.73639 [M+NH4]+ 0.488 TRUE 13.99 844.73889 C53H94O6 TG WMOQNOJFTAPDTH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 44 80.2 100 572.98 17-08-18-2022-POS-Isaac-L13 844.73688:3551469 845.74023:3119074 846.74359:773824 53.03884:3640 55.0544:25727 55.92795:3295 57.07001:74431 67.05433:72681 69.06994:60142 71.08541:65170 72.92888:3139 75.16203:3638 79.05428:29398 81.06996:92738 83.08555:56308 84.20415:3603 85.06471:8073 85.10093:42269 87.61561:5062 91.05405:18574 91.73847:2913 93.06968:38026 95.08572:94978 97.06468:7084 97.10106:40046 99.08009:3604 105.06972:16650 107.08557:22497 109.10122:58542 111.08036:5481 111.11666:19560 115.05455:3144 117.07005:10351 119.0854:19205 121.1014:40879 123.11712:35433 125.0965:4046 125.13256:3360 129.06944:5561 131.08588:19572 131.19145:3783 133.101:25043 135.11687:31468 137.0961:4735 137.13229:13213 145.1012:10044 147.11665:9177 149.09625:10099 149.13246:22186 151.14793:6740 153.12724:4535 159.11662:5705 161.13202:6960 163.11099:5965 163.1479:3873 165.16434:7441 171.11678:8367 173.13269:8385 175.14827:4244 180.35435:2861 182.00116:3181 184.07356:11058 185.13316:4445 189.16376:6650 191.17963:4666 203.17905:22652 205.19469:4099 211.20573:4379 215.17909:21924 233.19019:51105 239.23685:19688 247.24257:6423 262.70496:3073 265.25369:17020 269.22601:11275 285.2421:11249 287.23593:8306 313.27338:27658 339.28818:14848 459.72748:3164 523.46979:77184 526.54291:3201 545.45752:59327 547.47314:7102 549.48657:3706 551.50415:4563 566.37744:3053 571.4693:98104 573.49109:8825 577.51575:304226 599.50531:12131 720.05597:3662 764.73413:4595 TG 50:4|TG 16:1_16:1_18:2 2310 21.389 849.6936 [M+Na]+ 0.683 TRUE 21.445 849.69153 null null PVMBAGXWHHZKFP-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 95.9 93.2 null null null 222.43 39-08-18-2022-POS-Isaac-S15 849.69324:492222 850.69659:359116 851.69995:109681 50.54877:2654 51.67299:2801 52.43889:2553 53.5265:2437 57.07018:5064 67.05427:3351 68.83016:2438 69.06988:3153 81.06989:7926 82.14988:2763 83.28875:2538 95.08563:7641 105.22519:3059 106.30418:3312 107.08508:3054 109.10113:3154 121.10063:3014 135.11679:3315 146.43785:2755 178.45805:3690 205.0195:3128 224.44283:3050 225.75169:6709 248.93723:2803 268.4686:3307 282.40057:2982 358.50537:2803 381.57431:2796 420.81244:3551 468.48575:2764 569.45734:4581 573.49066:3649 593.45233:3983 595.47522:3542 849.6936:53443 TG 50:5|TG 14:0_18:2_18:3 2303 20.787 842.72046 [M+NH4]+ 0.878 TRUE 13.78 842.72321 C53H92O6 TG BVZCCLFFAYZNFZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 49.6 91.3 100 608.49 38-08-18-2022-POS-Isaac-S14 842.72308:5096200 843.72643:4238494 844.72979:1358560 51.87356:3010 53.00232:3970 53.03879:6541 55.05453:32817 57.03362:5342 57.07014:82504 67.05424:154684 69.06985:73156 71.04897:5456 71.08561:68941 75.17:3869 76.93105:3756 79.05422:67070 81.06985:231664 83.04888:4828 83.08543:57069 85.06463:8132 85.10126:43528 87.62521:6550 89.57291:2984 91.05401:28803 93.06961:94411 95.08556:217753 97.06495:14513 97.101:38452 99.08053:12124 101.1436:3095 105.07006:31755 107.08559:58949 109.06503:4644 109.10105:118277 111.08025:9471 111.11665:17291 113.09631:10716 117.06993:9545 119.08507:33588 121.10128:99264 123.08038:3518 123.11693:64033 125.09639:3887 127.11148:3325 131.08557:19002 131.25185:3285 133.10104:34721 135.11662:67280 137.13214:25854 145.1011:15198 147.11653:26966 149.13214:33086 151.1478:6797 153.12711:8530 159.11618:16075 161.13284:22914 163.14766:25582 173.1321:17194 175.14827:16188 177.12694:3636 177.16365:7808 180.34248:2991 184.07362:16084 185.43217:2905 187.14919:4039 189.16357:6440 191.17944:4628 201.16504:5783 211.20541:30249 223.63992:5337 229.21597:4274 237.22133:8325 240.26079:2919 243.20982:23343 245.22633:14526 251.31116:2876 259.20642:6968 261.2207:61023 263.23587:24691 285.24167:20700 309.78455:3461 311.25906:9960 317.24884:24172 319.26309:7114 337.27344:22982 541.45782:3730 543.44489:7307 545.45667:247728 547.47266:271265 569.45721:5178 571.46869:55820 573.48492:19882 597.48511:166671 599.50397:34456 825.69513:5492 TG 51:1|TG 16:0_17:0_18:1 2338 23.825 864.79987 [M+NH4]+ adduct linked to 2346_[M+Na]+ 0.732 TRUE 14.74 864.80151 C54H102O6 TG RHDRMOUSDQDVCE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 65 90.2 100 673.05 6-08-18-2022-POS-Isaac-L03 864.80054:1432776 865.80389:1499721 866.80725:476265 50.15128:2841 52.5572:2836 55.05445:15895 57.07007:71345 67.05439:31155 68.61649:3291 69.07001:31551 71.08547:55007 81.06968:45905 83.08562:35635 85.10108:39028 89.36495:2868 93.0698:6208 95.08531:61476 97.10128:30052 104.96452:3094 107.08584:6423 109.1013:43168 111.1169:11696 121.10096:15114 123.11662:15379 125.13266:3710 135.1171:13779 137.1324:6365 149.13252:4485 151.14806:4772 153.12737:3428 164.09634:3427 168.56601:3748 219.51176:14310 222.96146:3027 224.93311:3381 237.64987:3026 239.23695:10972 247.24277:4475 253.25175:5277 257.77454:3078 265.25143:10438 303.86542:5271 313.2738:4890 335.87906:2972 551.50458:10004 563.50354:26252 565.51849:127846 577.51666:116428 579.53241:10806 591.53418:130367 593.54639:3371 605.5473:11464 728.01483:3255 TG 51:2|TG 16:0_17:0_18:2 2334 23.054 862.78613 [M+NH4]+ ion correlated with 2374; adduct linked to 2343_[M+Na]+; similar chromatogram in higher mz_2343 0.854 TRUE 14.49 862.78583 C54H100O6 TG YQTVDFFNLVLBEJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 61.5 90.3 100 3236.8 9-08-18-2022-POS-Isaac-L06 862.78381:29488906 863.78716:25898604 864.79052:8362563 53.0026:24217 55.05445:122877 57.03394:10480 57.07007:633370 65.0389:7494 67.05415:409421 69.06976:246825 71.0494:12353 71.0822:16152 71.08552:555687 79.05404:75441 81.06976:624417 83.08273:7715 83.08532:326633 85.06518:26491 85.10115:366500 91.05437:34348 93.06995:119205 95.08546:773917 97.06525:21438 97.10091:251675 99.08038:34590 99.11722:21295 105.06996:36636 107.08541:77912 109.10095:446987 111.08105:26864 111.11649:69676 113.09583:10444 113.13264:7038 119.0857:37254 121.10116:117120 123.11683:256338 125.09657:11319 125.13263:21256 127.11167:14052 133.10081:54078 135.11659:109854 137.13197:102949 139.11208:12629 139.14819:9166 142.61633:14577 142.62183:7982 144.33031:10727 145.60925:12946 147.11734:39650 149.13223:53938 151.14764:47652 153.12733:10506 161.13229:41941 163.1478:41419 163.2308:7032 165.16383:34411 175.14789:42909 177.16391:8929 179.17969:9571 189.16385:14465 190.58797:6872 207.17497:6732 221.22736:12350 224.67433:6898 225.22127:8687 233.22675:8315 235.24344:16489 239.23613:95914 245.22598:61032 251.23669:11588 253.25308:63459 263.23761:126751 265.25372:12874 269.92944:8363 273.2085:8888 299.25818:8064 303.86252:17533 313.27289:58044 319.26355:25288 327.29068:54933 337.27448:12349 339.28845:26163 347.05124:6667 465.24286:6935 529.53937:6706 551.50446:14356 561.48914:143510 563.50171:150741 565.5174:1141890 575.50171:1125604 577.5155:127401 579.53235:7516 589.52234:1071587 591.53479:38468 603.53571:139316 617.55316:10509 764.4281:9823 773.19324:6908 TG 51:3|TG 15:0_18:1_18:2 2332 22.434 860.76959 [M+NH4]+ adduct linked to 2341_[M+Na]+; similar chromatogram in higher mz_2369 0.976 TRUE 14.28 860.7702 C54H98O6 TG AFUGNQFGFOCTMS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 45 89.4 100 2402.25 35-08-18-2022-POS-Isaac-S11 860.76917:2117490 861.77252:2538158 862.77588:743661 51.85333:2848 55.05041:2660 55.05458:8018 57.0702:11150 60.8265:2936 63.61678:2712 64.41964:2950 67.05429:17069 69.06998:14549 69.64849:2874 69.85394:2983 71.08566:5792 79.05427:3192 81.06983:27069 83.08549:16507 85.10089:6344 89.1164:2788 95.08571:31232 97.10109:12064 98.20913:2966 102.12761:4446 107.0857:4435 109.10116:13418 111.11676:5725 121.10138:11540 123.11709:5528 133.10107:2960 135.11682:6874 137.13223:6912 149.13234:5903 211.54874:3345 265.2511:2926 270.44171:2556 284.09464:3102 303.89346:5822 561.49048:33451 563.50116:30440 575.50244:22826 587.49884:12142 589.51434:9573 601.52039:21057 679.93262:3417 TG 51:4|TG 15:0_18:2_18:2 2329 21.799 858.75323 [M+NH4]+ adduct linked to 2337_[M+Na]+ 0.976 TRUE 14.03 858.75452 C54H96O6 TG MIHLTJZHRJACQQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 58.8 84 100 939.25 28-08-18-2022-POS-Isaac-S05 858.75397:2230854 859.75732:2254407 860.76068:678567 55.0545:25800 57.03369:6303 57.07011:76248 67.05443:127820 69.07003:57420 71.08553:56271 74.00309:4199 75.15541:4970 79.05405:30034 81.06968:177372 83.08565:51891 85.06474:6570 85.10108:43242 87.60727:3724 91.05423:19371 93.06987:48274 95.08534:194287 97.06471:9536 97.10123:30853 99.08012:8406 99.60205:3350 105.06981:15216 107.08531:29372 109.10132:99513 111.08039:6244 111.11685:12979 119.08543:18858 121.10084:44430 123.11659:57519 125.1326:4726 127.11164:4423 131.08588:3773 133.10126:29652 135.11716:24295 137.13243:28281 139.11116:3976 141.16103:3213 145.10123:3557 147.11658:22663 149.13284:21196 151.14798:14016 161.13226:19642 163.14815:19401 165.16325:4862 175.14832:13739 175.3775:3164 177.16386:5075 178.28818:3437 189.1638:5887 203.17906:6442 222.60078:9210 222.61327:6263 225.22086:20744 245.22665:22634 261.2211:5377 263.23605:49118 265.25131:3352 295.56061:3294 299.25806:19638 319.26349:10106 337.27435:16780 352.35165:3413 559.47363:11045 561.48932:481114 563.50165:7766 575.50177:10442 585.48651:12503 587.49933:7688 599.50531:211051 811.22974:3334 841.71844:7736 TG 51:4|TG 18:0_15:2_18:2 2337 21.798 863.70825 [M+Na]+ adduct linked to 2329_[M+NH4]+ 0.537 TRUE 21.838 863.70654 null null OCPNIEZHXBHHCH-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.2 97.6 null null null 98.54 7-08-18-2022-POS-Isaac-L04 863.70911:773736 864.71246:676595 865.71582:177060 54.573:2701 57.07004:2904 62.38378:2824 67.05437:5939 69.06998:2774 71.08543:3689 78.93565:2686 81.07002:6183 81.19909:2606 83.08519:3977 92.84028:2772 94.89494:2779 95.08528:8639 101.2476:2696 109.1013:5294 128.44136:2738 143.22076:2980 173.25027:3008 180.04546:2763 223.82533:4537 223.8541:3591 228.51384:2734 234.67509:3656 270.16293:3104 561.48248:4806 572.2403:3144 583.46912:4603 595.46832:5345 783.15613:3444 863.70746:52003 TG 51:5|TG 15:0_18:2_18:3 2326 21.189 856.73737 [M+NH4]+ ion correlated with 2364 0.61 TRUE 13.89 856.73889 C54H94O6 TG VEGWTLAYXMHOLL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 49.4 92.2 100 367.56 19-08-18-2022-POS-Isaac-L15 856.73737:3346031 857.74072:2770082 858.74408:917926 53.00236:4812 53.03883:4707 55.05443:38283 57.03367:5173 57.07002:81204 57.50687:3965 65.1553:2934 67.011:3707 67.05436:138259 69.03327:4961 69.06996:72606 70.28119:3450 71.04903:5070 71.08544:67715 75.16132:5862 79.05437:61879 81.06999:202641 83.04894:4318 83.08554:63408 85.0647:7549 85.10101:41010 87.61471:6370 91.05418:34656 93.06977:97193 95.08525:197899 97.06467:9693 97.10112:38028 99.08008:8013 99.15742:3542 105.06956:31999 107.08519:71681 109.10127:119675 111.08034:6711 111.11689:16410 113.0964:4785 117.07002:9661 119.08526:39815 121.10071:90919 123.11646:60478 125.09648:4150 125.13254:4099 127.11158:4111 131.08508:15784 133.10112:42568 135.1169:65435 137.13249:29716 139.11108:4504 145.10117:14654 145.42445:3294 147.11662:30636 149.13252:38725 151.11101:4809 151.1479:12484 153.12721:3071 159.11671:15775 161.13223:27146 163.14795:21652 165.16318:5354 167.14285:3791 173.13281:14767 175.14835:19205 177.16377:7013 179.14351:3262 184.07353:3680 187.14795:7113 189.16373:3680 194.59042:3009 195.84225:3167 200.85617:3160 205.19466:4568 207.21005:3163 221.60213:7192 221.61453:5887 225.22086:21489 243.21088:19110 245.22652:12914 259.20438:4745 261.22107:51400 263.23602:30603 272.52359:3667 299.25781:26280 303.88504:4354 312.24323:3420 317.24591:19437 319.26334:8603 333.24103:3873 335.25842:8431 337.2739:17653 382.9104:3275 400.71054:3525 419.43521:3778 519.60114:3100 523.44983:7676 547.47308:6306 557.45428:12710 559.47369:205527 561.4895:240232 563.5014:4080 571.46899:5211 573.49097:17403 575.50153:7103 583.46863:14154 585.48578:18727 587.50671:4443 597.48615:213663 599.50787:17902 618.99689:3738 684.19745:3300 709.98785:3565 754.46289:3487 760.74243:3771 839.716:6026 TG 52:0|TG 16:0_18:0_18:0 2362 25.38 880.83112 [M+NH4]+ 0.512 TRUE 15.39 880.83282 C55H106O6 TG SDNYRTVJOFMYIW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 74.6 82.4 100 790.85 16-08-18-2022-POS-Isaac-L12 880.83148:6641342 881.83483:5799385 882.83819:1890547 50.60384:3194 55.05443:16047 55.97087:3205 57.07008:164140 59.88197:3473 67.05442:41347 69.07003:31088 71.08547:141102 75.0827:3173 76.44697:2967 81.06967:70362 83.08561:56161 85.10102:100800 95.0853:117024 97.1012:58631 99.11664:8163 109.10127:71767 111.11688:22263 117.52012:3392 121.20883:3329 123.11662:35654 125.13257:5570 132.62517:3664 132.75726:3299 137.13248:18038 148.32133:3723 151.14795:5594 218.87926:22574 221.22549:3467 239.23651:21867 242.11688:3161 249.25822:5720 267.26825:16203 341.30676:5167 357.37878:2950 551.50269:18021 579.53217:521653 597.078:3302 607.56763:270680 872.49036:3967 TG 52:1|TG 16:0_18:0_18:1 2357 24.253 878.81409 [M+NH4]+ adduct linked to 2366_[M+Na]+ 0.707 TRUE 14.91 878.81708 C55H104O6 TG NPCZZYKITFKRQZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 75.7 89.9 100 9870.76 31-08-18-2022-POS-Isaac-S08 878.81757:2414102 879.82092:2178137 880.82428:691554 55.05441:12059 57.07007:73111 66.04575:3166 67.05441:25684 67.40143:3197 69.07001:38013 71.08546:64527 71.2175:2979 75.71214:2912 81.07002:46920 83.08562:40261 83.58012:3505 85.06475:3652 85.10102:41500 85.52142:2767 93.06977:7714 95.08528:76497 97.10121:41677 99.44857:2953 101.4365:3197 102.31023:2636 107.08521:6085 109.10135:36349 111.11689:17049 121.10078:13021 123.11655:24266 125.13186:4042 129.93979:3222 135.11694:9437 137.13235:10638 149.13248:4126 151.14799:4507 163.14798:4509 165.16441:4660 198.23564:3214 199.70757:3278 207.41046:2957 223.96014:7837 239.23688:10354 247.24268:4855 265.25369:12276 267.26871:6346 270.5303:3225 289.57599:2764 316.47089:2974 376.64963:3127 406.90012:3114 418.00507:3656 577.5163:173610 579.53326:170776 598.77344:3114 605.54797:132363 TG 52:2|TG 16:0_18:0_18:2 2363 23.387 881.75507 [M+Na]+ adduct linked to 2355_[M+NH4]+ 0.659 TRUE 23.451 881.75403 null null MDCUASFVKLEFPW-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 94.6 89.9 null null null 989.32 6-08-18-2022-POS-Isaac-L03 881.75519:4177998 882.75854:3512282 883.7619:1054082 55.05443:9226 57.07008:35801 60.45674:2915 67.05444:28314 69.07001:19640 71.08546:28751 77.09589:2745 79.05437:4797 81.07006:36283 83.08566:29906 85.10089:14628 86.17901:3248 86.66466:2887 88.65677:2841 93.0698:7700 94.055:2889 95.08526:45877 97.10129:19082 107.08524:3066 107.18763:3006 109.10137:23794 111.1169:4968 118.47111:3198 121.10082:7982 123.11651:9717 135.117:6280 137.1324:6127 239.23695:3858 240.18924:3031 248.07542:3293 258.3822:2760 263.23853:3829 265.25375:6270 269.67258:3426 303.22952:4796 325.8432:3208 407.87573:2730 534.16138:3884 575.50299:22131 577.51648:14323 579.53119:15259 597.48492:24263 599.49719:24234 601.52008:12441 603.53522:23739 625.51288:35246 626.74945:3383 751.8894:3165 772.19031:3422 814.66418:4098 825.76019:3378 843.50446:3359 881.74988:331006 TG 52:2|TG 16:0_18:1_18:1 2355 23.378 876.80023 [M+NH4]+ adduct linked to 2363_[M+Na]+ 0.976 TRUE 14.65 876.80151 C55H102O6 TG JFISYPWOVQNHLS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 71.5 82.8 100 21878.15 30-08-18-2022-POS-Isaac-S07 876.80066:137041408 877.80401:134850880 878.80737:43624744 53.00259:101319 53.00756:130697 53.03886:120055 55.05452:2027963 57.03369:140638 57.07015:3944576 61.37804:69920 67.05419:3287586 69.06979:4119897 71.04906:208624 71.08556:2850974 75.1568:86980 79.05411:1009825 81.06975:5386446 83.08531:4856401 85.06473:196605 85.10113:1949561 91.05418:115037 93.06992:1532568 95.0854:6975648 97.06471:245007 97.1013:3167852 99.08012:244137 99.11666:146184 101.09569:78859 107.08538:1011026 109.10139:3807240 111.08061:277930 111.117:1411368 113.0958:112703 113.24121:132657 113.24509:89867 121.10093:2811691 123.11664:1607147 125.09579:119764 125.13289:319368 127.11163:120391 135.11708:2417701 137.13245:615287 139.11115:195793 141.28354:90123 147.57368:284664 147.58139:163961 149.13261:1094718 151.14819:624647 153.12737:300436 163.14828:399026 165.16373:379578 167.14291:128352 177.16386:184133 179.17963:128668 191.17967:129793 205.19473:98744 207.32549:137507 215.66119:86448 221.22552:111612 222.80415:101523 239.23715:1016880 247.24243:962553 256.26373:118360 265.25363:2464398 269.28302:126692 313.27374:488043 321.27869:80931 339.28864:677809 341.34406:77458 529.49994:84544 575.50177:252694 577.51538:27242912 579.53217:153736 603.53613:14933192 605.547:98349 TG 52:3|TG 16:0_18:1_18:2 2352 22.747 874.78387 [M+NH4]+ adduct linked to 2358_[M+Na]+; similar chromatogram in higher mz_2501 0.976 TRUE 22.796 874.78271 null null KGLAHZTWGPHKFF-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.3 96.8 null null null 29307.09 28-08-18-2022-POS-Isaac-S05 874.78345:101464704 875.7868:116310880 876.79016:37818700 53.00279:163510 53.03906:139543 55.0546:1238487 57.03392:123912 57.06862:135026 57.07026:2646158 65.03888:67982 67.05437:4078418 69.06997:2861145 71.04937:147841 71.08346:85377 71.08545:2162882 79.05437:893954 81.07006:5523008 83.04938:105765 83.08563:3138835 85.06475:309509 85.10105:1552366 91.05418:414995 93.06989:1372271 95.08537:6393686 97.06492:312929 97.10128:1970191 99.08029:282281 99.11718:101613 105.06978:364493 107.08539:1003748 109.10142:3373707 111.08062:267911 111.11709:713856 113.09643:173204 119.08576:366571 121.10103:1869132 121.39746:61008 123.11674:1824060 123.27352:67404 125.09653:205941 125.13334:207099 127.11239:121754 133.10155:541092 135.11639:1484117 137.13277:858510 139.11201:115527 141.1286:93258 144.12477:108622 147.11717:363928 147.33147:98104 149.13286:816061 151.14847:486120 153.12781:233448 161.13264:372085 163.14851:568534 165.16371:265964 167.14407:77897 175.14763:279773 177.16385:141781 179.17961:74280 189.16377:113184 191.17966:68538 221.22728:126346 222.65604:160355 239.23624:732544 245.22594:464234 247.24187:337322 256.2637:103069 262.02521:90473 263.23755:1200244 265.25281:986304 269.28534:66836 313.27289:642741 319.26346:193465 337.27432:171776 339.29071:337061 573.49121:139858 575.50177:10031599 577.51526:9525829 597.32086:81511 601.51978:8536072 603.53589:275927 839.74243:69566 857.75293:96484 TG 52:4|TG 16:0_18:1_18:3 2350 22.506 872.76947 [M+NH4]+ 0.463 TRUE 14.23 872.7702 C55H98O6 TG HMIFBOVAIYAEFO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 25.2 87.6 100 1356.89 42-08-18-2022-POS-Isaac-S18 872.76874:723905 873.77209:828993 874.77545:277326 51.93339:2802 56.359:2686 56.49758:3423 56.73288:2591 57.07019:8363 59.83321:2408 62.05964:3158 66.17235:2546 66.51464:2840 67.05428:8832 69.06989:6233 70.40119:2800 71.08566:6938 75.08963:2733 75.63679:2789 76.60144:3042 79.05426:2988 81.06991:12038 82.68003:2780 83.08549:8904 85.10131:5461 86.70354:2592 89.74749:2815 93.07016:3808 95.08545:15081 97.10108:6518 98.88814:3626 109.10115:8819 112.78387:2656 115.65704:2850 121.10138:5173 123.11708:4359 128.46931:3335 135.11682:3271 163.14783:3173 263.23816:3297 264.05624:2957 283.02322:3048 336.27219:3615 398.48926:3489 482.25964:3006 551.50385:5187 573.4834:7784 575.50195:25079 577.5224:6376 599.50671:14030 766.0636:5777 803.77704:3462 TG 52:4|TG 16:1_18:1_18:2 2349 22.139 872.7688 [M+NH4]+ adduct linked to 2356_[M+Na]+; similar chromatogram in higher mz_2476; adduct linked to 2322_[M+H]+ 0.976 TRUE 22.191 872.76807 null null WHSWXEYWNPTUPW-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.3 96 null null null 30031.25 6-08-18-2022-POS-Isaac-L03 872.76978:197172864 873.77313:215349872 874.77649:69900896 53.0024:133581 55.0542:1017011 57.03348:154084 57.07006:2288356 65.03863:95369 67.05437:4854152 69.06996:1715600 71.04909:97517 71.08542:1950550 74.06809:81460 79.05435:1058970 81.06996:6404804 81.21872:77888 83.04901:117518 83.08553:2229364 85.06434:191301 85.10133:1197824 91.05404:648067 93.06967:1584071 95.08562:6292454 97.06458:311424 97.10107:1289340 99.08016:215288 99.1167:121624 105.07005:632715 105.39067:82593 107.08559:1035516 109.10106:3376194 111.0798:283801 111.11657:379219 113.09584:100078 119.08578:714655 121.10125:1531134 123.11696:2068592 125.09583:166383 125.13189:139858 127.11168:171595 131.08511:107696 133.10081:855693 135.11656:978961 137.13286:898804 139.11121:121893 146.82599:146322 147.11716:705133 149.13297:649114 151.11212:114540 151.14833:399629 153.12733:106574 154.56755:84119 159.11673:114230 161.13251:612252 163.14842:599596 165.1633:238441 173.13158:118547 175.14873:426715 177.16266:173124 181.15805:84442 189.16248:200191 193.15891:128785 203.17912:100153 207.7605:137902 239.23724:673441 243.20879:89775 245.22699:747788 256.26382:76537 261.22165:397824 263.23657:1797924 265.25143:119280 269.92947:167265 303.86539:292837 313.2738:614037 319.26395:343402 337.27475:519103 339.29184:117891 342.26346:97052 525.46826:129066 573.49158:787951 575.50208:16239942 577.51489:827515 599.50562:8789134 601.52002:207273 764.8822:87215 855.74756:269193 TG 52:5|TG 16:0_18:2_18:3 2353 21.566 875.70709 [M+Na]+ adduct linked to 2347_[M+NH4]+ 0.976 TRUE 14.02 875.7099 C55H96O6 TG MVAGPZSVOSGBMR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 60.5 73.5 100 919.39 42-08-18-2022-POS-Isaac-S18 875.71021:1770930 876.71356:1887488 877.71692:621178 53.3983:2821 55.05436:4274 57.06996:7507 57.82277:2761 64.8038:3100 67.05443:14729 69.06989:8480 69.38992:3044 71.08534:3611 79.05389:8957 81.06996:22572 83.08549:9126 83.4109:2704 93.06968:8553 95.08515:22167 97.10108:3806 102.12761:3420 107.08569:3928 109.10115:11632 119.23605:3114 121.10066:12544 123.11708:4791 133.10107:4296 135.11682:6536 145.6572:2722 176.95251:2862 221.75085:10701 221.76328:4920 301.21259:3321 335.01785:3032 402.12643:3264 573.49078:8268 575.50128:10446 595.46753:14513 597.48419:22135 619.46814:13110 875.70807:149323 TG 52:5|TG 16:1_18:1_18:3 2347 21.557 870.75171 [M+NH4]+ adduct linked to 2353_[M+Na]+ 0.951 TRUE 14.01 870.75452 C55H96O6 TG CDPGTJRMESRMBM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 31.6 89.9 100 10364.37 36-08-18-2022-POS-Isaac-S12 870.75433:16161066 871.75768:16981354 872.76104:5431169 53.00232:8153 53.0388:5496 55.05443:74489 57.03363:11770 57.07005:61190 67.05437:277048 69.06998:152829 71.04898:9513 71.0855:35104 75.17351:4588 79.05398:83278 79.42113:4061 81.07001:351403 83.04889:7991 83.08558:151379 85.06464:12939 85.10103:23916 87.62963:4130 91.0542:36729 93.06977:131347 95.08527:309052 97.06464:18676 97.10117:83914 99.08014:20858 105.06956:33290 107.08519:87616 109.10123:170825 111.08057:18855 111.11679:26838 113.09568:8787 117.06995:8552 119.08538:44951 121.10147:149891 123.11645:88555 125.09565:14608 125.13171:4411 127.11149:9687 131.08527:18826 133.10118:53601 135.11691:130534 137.09599:5526 137.13226:50435 139.11208:18046 139.14799:3574 141.12756:4162 145.10106:16637 147.11661:38946 149.1324:66915 151.14758:16156 153.12712:13930 155.14349:4031 159.1165:15268 161.13185:33886 163.1479:36393 165.16306:6935 167.14275:4893 173.13255:13732 175.14825:29560 177.16367:8910 187.14783:6275 189.16359:5156 191.17946:6056 217.19405:8245 219.21123:18235 223.27956:11960 231.99809:4043 235.20633:7170 237.22128:31745 239.23657:6711 243.21046:15427 245.22647:24295 247.24237:3920 261.22092:56695 263.23566:57248 265.25336:14597 270.58014:4592 311.25909:15113 313.27328:8419 317.24551:21563 319.26312:9282 335.25821:7428 337.27414:36031 339.28799:10279 383.54645:3866 429.51312:3711 478.65848:3535 547.47272:4159 571.46869:142635 573.49054:470955 575.5014:177097 597.48566:61642 599.50476:311539 601.5191:62833 625.52057:4454 672.13892:3780 743.79755:3504 835.71979:4073 853.72083:12655 TG 52:6|TG 16:0_18:2_18:4 2345 21.068 868.73822 [M+NH4]+ 0.634 TRUE 13.88 868.73889 C55H94O6 TG CRIHRLHXKRNXPC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 38.7 89.4 100 1700.37 6-08-18-2022-POS-Isaac-L03 868.73859:3279127 869.74194:3106361 870.7453:1008996 50.41656:3585 53.0024:3837 55.05439:33689 57.03372:4366 57.07001:83762 65.03863:3990 67.05434:143560 69.06996:55678 71.08542:65677 75.15648:4408 77.0385:4261 79.05394:57129 81.06998:155383 83.08559:56763 85.06477:10037 85.10102:38480 87.60863:3683 91.05418:76637 93.06975:79019 95.08523:157589 97.06475:10647 97.10118:36387 99.08016:9983 105.06957:56626 107.08518:52002 109.00226:4425 109.10123:88485 111.08043:7286 111.11689:11799 111.71853:3481 113.09649:5446 113.93142:2949 117.07012:22003 119.08531:75539 121.1007:56708 123.08058:5881 123.11647:48541 125.09584:4511 129.06953:8395 131.08582:26995 133.10118:65708 135.11684:43084 137.09619:4760 137.13228:15550 139.11209:5242 143.08562:6074 145.10118:26573 147.11664:37127 149.09636:4870 149.13248:22790 151.11214:5194 151.14803:8342 157.10086:10085 159.11658:36699 161.13203:83261 163.11111:6182 163.14787:21300 165.16444:4352 171.11682:18992 173.13252:23312 175.1123:3625 175.14825:42338 177.16393:4820 184.07365:28413 185.1319:16451 187.14812:8725 189.16388:5315 199.14825:11563 201.16383:6159 203.17914:10339 213.1636:8889 213.5266:3180 221.22562:3614 223.34258:7753 231.21135:7164 239.17934:3730 239.23692:14766 241.19518:49573 243.21083:12266 245.22672:8083 257.19122:4488 259.20642:51457 261.22119:9664 263.23669:20324 269.2262:7906 285.24228:5640 287.23615:4216 311.25958:3474 313.27338:58742 315.23254:6745 335.2587:3873 337.27414:39317 339.29184:3267 515.10419:3693 547.47412:32728 571.44745:9944 571.46942:91829 573.48364:40942 575.5022:233505 595.46869:120782 597.48578:5326 625.51312:4108 627.08643:3239 652.31921:3927 851.7171:4778 TG 52:6|TG 16:1_18:2_18:3 2344 20.796 868.73798 [M+NH4]+ adduct linked to 2351_[M+Na]+ 0.951 TRUE 13.86 868.73889 C55H94O6 TG NOOJQDXMGLPOOA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 52.6 92.3 100 2178.76 14-08-18-2022-POS-Isaac-L10 868.73846:4526750 869.74181:4740271 870.74517:1403630 53.00259:8006 53.03885:7190 55.05438:59770 55.08029:3949 57.03369:8484 57.07:29167 57.50667:3792 60.33023:3636 65.0386:3743 67.0543:246225 69.06992:117817 71.04906:10290 71.0854:20802 75.16135:4693 79.05426:107405 81.06993:319159 83.04898:7895 83.08553:105625 85.06473:12120 85.10138:9184 86.09657:5448 91.05409:47313 93.0697:155554 95.08568:256291 97.06457:20545 97.10111:66312 99.0805:21149 105.0695:40137 107.08568:90223 109.10116:128739 111.08016:18691 111.1168:26676 113.0958:10079 117.07008:12220 119.08524:50164 121.10138:148204 123.08053:5082 123.11639:84697 125.09579:10174 127.11163:6616 131.08585:25523 133.10114:59296 135.11684:117110 137.13226:37176 139.11115:7138 145.10123:23853 147.11655:40353 149.13231:60625 151.14796:12970 153.12729:12810 159.11649:21600 161.13187:39679 163.14771:35300 165.16438:4111 167.14291:3867 173.1326:17318 173.67941:3913 175.14828:27691 177.16386:14234 179.14359:3722 184.07338:26159 187.14803:9783 189.1638:10352 201.16376:6684 203.17906:4718 217.19429:8438 219.20932:15848 220.63501:6254 220.64732:13484 235.20657:8949 237.22119:32268 243.21066:21514 245.22667:21212 259.2045:7589 261.22086:72595 263.23611:39645 303.89087:4076 311.25894:23504 315.2294:3591 317.24869:20855 319.26346:6978 333.24445:3412 335.25854:13114 337.27426:21759 497.43549:5655 523.45007:7622 541.4585:4864 569.45795:6957 571.46936:340057 573.48395:297679 575.50177:4110 597.4856:274995 599.50543:65865 833.70123:4362 851.7168:11831 TG 52:7|TG 14:0_18:2_20:5 2342 20.478 866.72101 [M+NH4]+ 0.512 TRUE 13.71 866.72321 C55H92O6 TG HBSSGNRKOFMPFF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 29.2 77.9 100 92.67 19-08-18-2022-POS-Isaac-L15 866.72101:4797292 867.72436:3821204 868.72772:1251188 53.00235:6123 53.03883:7847 55.01799:6120 55.05441:48925 57.03366:5779 57.07003:109794 59.79226:3568 65.03857:5309 67.05436:222258 69.06997:87816 71.04902:9297 71.08542:92502 75.16236:5570 79.05398:97488 81.06998:258944 83.04894:8851 83.08559:59937 85.06469:15029 85.10102:52776 91.05418:115879 93.06975:101498 95.04886:4244 95.08524:265309 97.06468:18512 97.10114:55398 99.08007:10746 105.06962:80461 107.08522:78600 109.01194:5317 109.10124:137911 111.08034:10068 111.11684:21694 113.09639:5124 115.05453:7249 117.07:64925 119.08529:87736 121.10075:91014 123.08047:8098 123.11646:72913 125.09573:9521 127.11157:5466 129.06956:33007 131.08505:97832 133.10114:83179 135.08063:10680 135.11694:60262 137.09607:4366 137.13235:33146 139.11197:4131 141.06915:6898 143.08559:25108 145.10126:66500 147.11673:44500 149.09622:9872 149.13252:34355 151.1479:7602 153.12721:9509 155.08553:5880 157.10109:25116 159.1167:50661 161.09576:7202 161.13203:46439 163.11209:7757 163.14796:25023 167.14168:4067 169.10165:12973 171.11687:25858 173.13269:43254 175.11217:5398 175.14845:27829 177.16377:7095 183.11716:18628 184.07352:4802 185.1319:27195 187.14774:29904 189.1274:8993 189.1637:16672 191.17958:5491 193.19478:4455 197.13293:15228 199.14799:21376 201.16362:99627 203.17896:14021 211.14803:14483 211.20576:34938 213.16342:9782 215.14182:6730 225.16306:11328 229.21616:4862 231.1734:7405 233.18832:4112 237.2215:5120 239.17912:5965 241.19325:6743 243.17397:4015 243.21062:11814 245.2265:14211 257.22644:8384 263.23651:33135 265.25119:4786 267.21002:55925 269.22595:6464 283.2049:3960 285.22134:54294 285.24203:90811 311.25928:9079 313.27347:5516 319.26331:7210 335.25839:6830 337.27402:73993 339.28818:9789 390.70563:3596 539.26685:3700 545.45782:15792 547.47339:434230 549.48645:6163 565.46674:4245 567.44244:12876 569.45868:74159 571.47003:20194 573.49097:9296 575.50146:5209 593.50702:4637 595.47552:8417 599.50458:19668 601.52002:37271 621.48547:85614 623.50195:4506 764.38214:4229 849.69189:5235 TG 53:1|TG 17:0_18:0_18:1 2383 24.714 892.8313 [M+NH4]+ 0.488 TRUE 15.24 892.83282 C56H106O6 TG CTYHEFNQFHZLTL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 52.8 89.8 100 355.93 8-08-18-2022-POS-Isaac-L05 892.83185:668454 893.8352:574325 894.83856:184992 55.05443:13300 55.46701:3010 57.07006:35592 58.97847:4012 67.05443:18660 69.07:19583 71.08552:38064 74.01577:3158 81.06963:24565 83.08559:21375 85.10104:19408 95.08527:40010 97.10123:21977 107.08524:3460 109.10128:20762 111.1169:9351 113.43297:2731 118.76723:2906 121.10082:8422 123.11639:13984 123.45747:3049 135.11699:9417 137.1324:4152 149.13252:4099 154.00793:2811 239.23894:4940 247.24275:5277 265.25143:8054 331.84485:3436 524.66101:3825 539.36816:3321 565.52502:4198 577.51678:29728 579.53241:7509 591.53314:64142 593.5473:64491 605.54865:47192 619.57062:32280 845.26935:3294 TG 53:2|TG 17:0_18:0_18:2 2377 23.739 890.81537 [M+NH4]+ adduct linked to 2388_[M+Na]+ 0.878 TRUE 14.82 890.81708 C56H104O6 TG XFBQQSLGCORCGH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 31.6 92.7 100 1386.8 15-08-18-2022-POS-Isaac-L11 890.81573:6590986 891.81908:6050132 892.82244:1956465 51.79549:2933 53.00238:4493 55.05444:31615 57.07006:87579 58.50332:3085 59.50838:3802 65.19175:3156 67.05437:69990 67.20136:3119 69.07:65888 71.08544:73745 72.14692:3148 75.16065:4584 75.96809:3171 79.05403:17359 81.06967:102946 81.57148:2965 83.08559:74924 83.08962:4342 85.06473:5720 85.10104:44841 91.16388:3292 93.06977:28605 93.30733:3303 95.0853:135844 97.0647:4308 97.10117:54656 99.08064:4376 99.11665:4952 101.6628:2960 107.08512:17771 107.31815:3760 109.10129:76720 111.08038:3760 111.11694:27307 118.68036:3170 119.08532:6632 121.10079:35231 123.11651:30026 125.13184:3424 133.10117:6109 135.11696:40185 137.13228:18331 147.11668:5370 149.13255:15209 151.14796:11244 153.12727:3458 162.38216:3302 163.14793:8803 165.16322:6621 167.14291:4142 194.73045:3285 221.41109:12032 231.58725:3164 239.23682:9494 245.22659:4752 247.24052:8839 253.25162:8977 261.25961:3576 263.23608:13171 265.25323:19454 267.26865:3612 327.28754:5048 339.28833:7301 341.30679:5942 458.06534:3166 560.16327:3368 575.50275:39999 577.51697:46753 589.51575:91465 591.534:260056 593.54712:87806 603.53693:156634 605.54724:27197 617.55347:76104 775.8194:3681 890.77087:5316 TG 53:2|TG 17:0_18:1_18:1 2378 22.807 890.81647 [M+NH4]+ 0.512 TRUE 14.8 890.81708 C56H104O6 TG ANBFFIILUQJIQL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 23.1 83.3 100 161.23 15-08-18-2022-POS-Isaac-L11 890.81689:877262 891.82024:1214352 892.8236:312426 58.31235:2513 59.06047:3935 60.081:35480 65.41669:2842 69.4499:2554 70.9556:2650 71.74759:2671 72.97506:3158 76.97825:2859 81.06959:4057 83.08556:2937 92.07098:2963 95.08573:6113 97.10168:3521 107.52554:3310 109.10125:4428 117.447:2817 118.71994:3156 142.09024:3009 189.91177:3212 212.08176:2888 217.37482:2994 218.74031:3331 223.99071:4657 224.0051:3527 224.01949:2955 225.97241:3234 420.54889:2964 431.76343:2821 591.52533:6925 593.53833:3262 602.52679:3645 603.52039:4183 TG 53:3|TG 17:0_18:1_18:2 2374 23.048 888.79962 [M+NH4]+ ion correlated with 2334; adduct linked to 2385_[M+Na]+ 0.976 TRUE 14.56 888.80151 C56H102O6 TG NIBMDPFMDDQNNX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 56.5 89.9 100 2541.13 42-08-18-2022-POS-Isaac-S18 888.79913:1227970 889.80248:950136 890.80584:317201 51.29742:2974 53.44609:2765 53.67756:3250 55.05436:11229 57.07002:20738 60.48493:2894 67.05431:30325 69.06998:14332 70.04487:3182 71.08546:14925 75.17178:3204 75.73081:3085 79.05426:6358 81.06994:44680 83.08558:24969 83.43339:2749 85.10089:11014 85.64543:3406 91.0541:3918 93.06968:11158 95.08523:44677 97.10121:17477 102.12761:4121 107.08569:7279 109.10131:24382 111.11675:5563 113.0957:3138 121.10066:11686 123.11708:10999 132.92073:2977 133.10106:4550 135.11714:13693 137.13222:7247 149.13232:7934 149.36038:2830 163.14781:3686 182.50433:2932 244.2092:2906 254.94514:3127 263.23587:8321 279.26807:3337 327.29047:3265 339.28806:4676 340.76898:2954 384.26929:3291 388.15607:2927 573.49072:3807 575.50128:10652 587.49878:8599 589.51581:69101 591.53387:61449 601.51935:50489 603.53583:8732 615.53094:9533 702.42206:3398 766.55322:3151 TG 53:4|TG 17:0_17:1_19:3 2379 22.42 891.74017 [M+Na]+ adduct linked to 2369_[M+NH4]+ 0.732 TRUE 22.467 891.7384 null null HWDMYIJPUHRAJW-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.3 99.8 null null null 172.44 28-08-18-2022-POS-Isaac-S05 891.74091:503544 892.74426:500478 893.74762:142284 50.7198:2917 53.25892:2890 57.09062:2772 59.62166:2799 64.58237:2723 67.05435:7103 69.06996:4891 70.19213:2984 75.1229:2787 78.51081:2924 81.06999:7707 83.08557:5276 95.08524:12561 97.10118:4206 109.10126:7191 115.79281:2782 119.98118:2877 121.20457:3080 138.60349:2952 167.06293:3059 173.55418:2844 179.43097:3684 219.52565:2670 221.83264:10056 226.36316:3209 481.11945:3061 490.24875:3469 589.51489:3450 609.48566:5694 611.50183:7321 619.86621:3455 891.74463:63534 TG 53:4|TG 17:1_18:1_18:2 2369 22.434 886.7829 [M+NH4]+ adduct linked to 2379_[M+Na]+ 0.976 TRUE 14.39 886.78583 C56H100O6 TG VESVDAJIPQIOEH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 60.3 91.8 100 1974.92 8-08-18-2022-POS-Isaac-L05 886.78369:9916440 887.78704:6394759 888.7904:2153176 53.03887:10479 55.05444:94525 57.03371:9557 57.07007:70687 67.05441:261410 69.07001:206201 71.04908:10936 71.08549:45047 75.15333:4561 79.05404:71171 81.06967:373162 83.04901:4928 83.08524:181520 85.06476:14283 85.10109:36341 87.49648:3555 91.05425:31492 93.06984:118249 95.08532:379602 97.06477:20650 97.10121:145236 99.08009:16609 101.77738:3840 105.06961:22060 107.08525:86482 109.06458:4756 109.10128:196361 111.08047:24336 111.11689:57415 113.09583:11938 119.08515:25787 121.10087:145916 123.11657:101170 125.09582:7611 125.13263:7539 127.11167:7478 133.10106:36512 135.11697:126386 137.13239:49185 139.11208:11197 141.12685:4770 147.11653:25228 149.13264:60883 151.11111:4773 151.14818:26447 153.12746:16437 155.14267:4235 161.13226:26052 163.14801:35737 165.16315:18726 175.14847:18118 177.16393:12316 179.17969:4694 189.16385:7246 191.17973:3872 204.80721:4560 233.22675:12048 243.8616:4127 245.22668:27979 247.24236:17711 251.23665:37197 261.22116:6143 262.02301:4223 263.23611:73588 265.25348:41776 319.26358:9471 325.27213:19977 327.29086:6061 337.27386:16299 339.28845:26694 347.74292:4015 561.4895:3956 573.4848:16136 575.50195:5590 587.49957:436515 589.51508:531819 591.5332:5781 599.5061:82907 601.51984:399986 603.5365:14881 615.53204:21296 717.63544:4066 799.69574:3557 869.75812:8019 TG 53:5|TG 17:1_18:2_18:2 2368 21.781 884.76996 [M+NH4]+ 0.878 TRUE 14.09 884.7702 C56H98O6 TG QHYAATSKYBYSLG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 45.2 81.8 100 971.14 33-08-18-2022-POS-Isaac-S10 884.77014:693211 885.77349:715204 886.77685:233724 55.05439:10041 57.06999:3820 67.05435:25960 69.06999:15303 71.0857:4242 79.05431:7475 81.06993:36699 83.08559:13674 93.06973:9508 95.08574:27871 97.06468:3577 97.10114:10714 105.07016:7060 107.08575:6395 109.10113:16216 110.14304:3225 111.11681:3156 119.08529:3418 121.10144:11776 123.11642:10961 129.842:2965 135.1169:8201 137.13229:6275 147.11665:5644 149.13242:5576 151.11201:2998 161.13202:5335 163.1479:5255 175.14827:4434 179.74353:2957 189.98901:2790 221.41458:3177 243.68779:2950 245.22655:4239 248.11089:2991 251.23656:4353 256.54355:3559 263.23831:7741 269.58917:2799 271.26016:3634 271.37051:3054 337.27426:4007 338.27731:3601 388.04138:3555 388.0701:2970 488.64429:3058 490.66251:3152 529.67645:3413 585.48633:3636 587.50012:73792 589.51465:4831 599.50397:35070 625.92438:3079 763.38501:3442 766.45111:4584 834.86517:4441 TG 53:6|TG 17:1_18:2_18:3 2364 21.161 882.75366 [M+NH4]+ ion correlated with 2326 0.585 TRUE 13.98 882.75452 C56H96O6 TG CRAKBYXKEQVYKV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 47.6 92.1 100 303.69 22-08-18-2022-POS-Isaac-L18 882.7536:2020449 883.75695:1685270 884.76031:520430 50.33668:3063 55.05444:23854 56.01787:3176 56.82868:3100 57.07005:18722 59.01199:2988 67.05439:87051 68.67689:3741 69.03358:3318 69.06999:46702 71.04904:3374 71.08538:9704 71.77694:2965 75.15958:5585 78.67422:3720 79.05435:41849 79.09243:3056 81.07002:120063 83.04895:4930 83.08555:40468 85.10094:4172 87.61252:5971 91.05429:16647 93.06977:57189 93.85644:3403 95.08528:107556 97.06468:5619 97.10114:28408 105.06958:16100 107.0852:45064 107.35095:3290 109.00829:3716 109.10126:69849 111.08035:6064 111.11681:12204 111.16965:3560 113.09576:3558 117.06936:6936 119.08539:18545 120.1492:3481 121.1008:58140 123.11648:24444 125.0965:4602 125.46609:3422 131.08504:7765 133.10124:26242 135.117:42017 137.13223:14798 138.2162:4683 139.11111:4353 145.10118:12089 147.11659:18751 149.13254:31248 149.67451:2948 151.14792:10380 153.12724:3842 153.62482:3235 159.11662:6140 161.1319:17903 163.14815:14987 165.16319:4758 173.13268:7893 175.14825:11056 177.1638:6529 187.14796:3657 189.16374:5847 203.19609:3549 233.22659:4879 243.21065:5353 245.22655:9400 249.22227:4135 251.23656:10567 261.22086:25820 263.23572:17216 271.24097:3024 303.86234:6041 317.24582:10062 319.26337:4444 325.27222:9796 335.25845:4848 337.27426:13064 406.68411:3571 446.05035:3041 511.45215:3710 559.46631:4173 573.49109:4030 583.46954:19700 585.48755:130392 587.50037:114672 597.48608:98082 599.5069:27047 601.51959:13636 611.50159:4121 688.27942:3572 865.73718:3815 TG 54:1|TG 16:0_20:0_18:1 2412 25.223 906.84595 [M+NH4]+ 0.561 TRUE 15.39 906.84839 C57H108O6 TG JCVFZHFBLDWEFA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 65.4 90 100 2168.94 18-08-18-2022-POS-Isaac-L14 906.84564:10283718 907.84899:9224541 908.85235:2937880 53.00236:9378 53.03904:3492 55.05444:64999 57.03367:5316 57.07007:322737 64.19654:3604 67.0544:130192 69.07002:163082 71.04903:5286 71.08547:283209 76.27109:4127 79.05399:27206 81.06965:233222 83.08562:205381 85.0647:8224 85.10103:175770 93.06976:42650 95.0853:327795 97.06467:6774 97.10123:158469 99.08061:9280 99.11662:13330 107.08525:29946 109.1013:205334 111.08034:6030 111.11686:75542 111.18662:4184 113.13256:4752 118.65672:3926 121.10079:70964 121.40172:3564 123.11652:87971 125.09573:3863 125.13263:18854 130.82759:3697 135.11691:65342 137.13229:41760 139.14809:3743 144.11264:3775 148.06081:3811 149.13261:28916 151.14091:4270 151.14694:26972 153.12721:9798 155.08862:4524 161.21877:3989 163.14787:11430 165.16364:15954 166.75032:3710 175.10719:4020 177.16377:4695 191.1796:4022 213.24197:3710 218.00748:3620 219.2935:20803 221.22543:5219 239.2365:32588 247.24245:21086 247.88445:3834 253.37921:4965 260.98544:3805 265.25369:63843 267.26855:10263 269.28525:5602 277.28967:6550 285.00427:4222 295.2988:10604 313.2735:15663 339.28821:8304 369.33759:11255 371.88828:3572 491.08862:3997 549.48645:15061 551.50366:32943 562.42584:4575 577.51526:573058 579.53186:46739 605.54688:140496 607.56738:449699 633.58441:548750 635.59253:11545 661.61047:4499 723.71021:4028 729.10144:4445 862.50549:4277 TG 54:2|TG 16:0_18:1_20:1 2406 24.15 904.83008 [M+NH4]+ adduct linked to 2419_[M+Na]+; similar chromatogram in higher mz_2535 0.683 TRUE 14.98 904.83282 C57H106O6 TG FPUBLSPUCGHELU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 66.5 91.4 100 11197.97 17-08-18-2022-POS-Isaac-L13 904.83026:41090824 905.83361:35646664 906.83697:11886996 53.00236:58489 53.03883:18668 55.05438:582398 57.07:1160113 65.03857:17876 67.05431:984587 69.06992:1268736 71.04903:45309 71.08538:886059 79.0543:169760 81.06993:1522202 83.0855:1387910 85.06469:51831 85.10092:572961 91.05414:27739 93.0697:346874 95.08566:1779153 97.06466:53884 97.10108:1067408 99.08067:74824 99.11661:23791 105.06956:18782 107.08568:256429 109.10115:1170235 111.08037:73613 111.11674:427864 113.09575:52471 121.10134:694523 123.11706:463900 125.09573:29936 125.13232:101360 127.11157:16515 135.11681:629161 137.1322:204181 139.11197:37973 139.14809:22942 141.12764:21415 147.81738:35568 149.13222:296283 150.90581:20647 151.14793:140087 153.12721:51149 154.58392:26132 163.14767:122684 165.16409:103899 177.16377:54913 179.17953:53633 191.17958:21875 193.19478:18010 205.19464:25555 207.32538:15616 219.21158:17025 220.94662:54517 221.22719:22263 237.2215:16369 239.23656:211915 247.24239:151156 253.89093:17279 265.25314:450870 267.26852:17428 269.28525:21035 275.27255:91334 293.28479:254342 311.87039:14750 313.27283:99305 339.2883:92843 341.30667:24142 349.31088:20439 367.32239:73387 387.3447:16091 487.03052:17052 549.48541:82190 575.50146:27978 577.52209:3136459 603.53534:740586 605.54645:3252696 607.55945:17288 631.56842:2727849 633.58447:52216 819.04968:15345 887.80957:16247 TG 54:2|TG 18:0_18:1_18:1 2405 23.334 904.82324 [M+NH4]+ ion correlated with 2453 0.634 TRUE 23.396 904.82037 null null RYNHWWNZNIGDAQ-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 87.7 79.5 null null null 4281.97 9-08-18-2022-POS-Isaac-L06 904.82324:43626684 905.82659:14260896 906.82995:2454666 55.05443:13350 57.07004:10919 60.08103:18570 63.7224:3298 64.94807:2934 67.05435:19941 67.26621:3397 68.73594:3457 69.07004:29294 70.07329:4391 71.08543:9216 79.05399:3857 79.36771:3354 81.06964:34995 82.07331:6932 83.08561:33220 84.08902:6358 88.12148:2839 91.07755:3462 93.0698:9309 95.08531:49032 96.08857:11854 97.10129:26175 98.10432:7450 100.91972:2953 107.08524:8008 109.10126:25049 110.10466:7320 111.07981:3576 111.1169:11654 112.11958:3473 121.10094:19237 122.10424:6782 123.11651:9267 135.11699:19017 135.1946:3119 136.12:6806 137.1324:4434 149.13252:7315 150.13571:3888 159.83565:3576 187.98097:3245 193.99892:2973 218.71436:18590 240.76173:2992 247.24066:5350 248.24541:5915 265.25165:15436 266.25607:13114 278.91806:3148 303.89099:5033 340.29044:6605 354.58847:3619 422.56082:3828 581.53717:3918 602.5191:8421 603.53717:34616 604.54163:146915 605.54016:170516 606.5484:4764 607.552:9637 656.94958:3296 TG 54:3|TG 18:0_18:1_18:2 2401 23.331 902.81421 [M+NH4]+ adduct linked to 2413_[M+Na]+; similar chromatogram in higher mz_2480; similar chromatogram in higher mz_2534 0.732 TRUE 14.67 902.81708 C57H104O6 TG CNGSOZKJBWHOEG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 60.4 91.4 100 16063.51 39-08-18-2022-POS-Isaac-S15 902.81628:16753678 903.81963:14619815 904.82299:4902805 53.00252:15445 53.03858:6549 55.05456:163195 57.03385:11452 57.07019:291858 65.0388:8215 67.05428:477138 69.06989:339781 71.04897:17406 71.08534:236223 75.08017:6262 79.05425:91811 81.06989:636886 83.08547:354747 85.06462:20241 85.10131:150704 87.73539:5570 91.05413:47002 93.06967:145458 95.08562:700119 97.06472:28792 97.10105:290835 99.08058:29255 101.0961:6453 105.07001:33615 107.08564:120994 109.10113:378592 111.08023:43435 111.11673:106417 113.09565:17554 119.08512:39354 121.10131:225185 123.11704:188286 125.09563:16303 125.13244:22768 127.11147:13467 131.0849:7618 133.10094:53290 133.69067:5774 135.11681:171759 137.13223:91509 139.11185:13858 141.12753:7643 147.11639:45860 149.1322:100288 150.62843:7738 151.13182:9486 151.14784:51128 153.12669:25737 161.1319:38670 163.14767:49497 164.05762:5638 165.16399:30187 167.14272:7928 175.14778:32115 177.16364:22847 179.1794:11435 189.16356:12195 191.17941:9717 205.19447:9737 219.86925:30714 239.23653:17882 245.22656:49248 247.24234:52537 248.60648:5802 261.44528:6387 263.23572:117188 265.25314:106029 267.26859:41786 293.28226:16991 313.27325:12897 319.26306:15616 337.27393:23218 339.28839:37329 341.30591:56927 365.47012:6397 367.3186:7467 575.50104:193867 577.51599:35649 589.15314:7318 601.51941:807330 603.53595:1053674 605.54688:799915 629.54633:151530 885.78174:7845 TG 54:4|TG 18:1_18:1_18:2 2397 22.7 900.79962 [M+NH4]+ 0.976 TRUE 14.51 900.80151 C57H102O6 TG JTMWOTXEVWLTTO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 59 83.8 100 19613.57 19-08-18-2022-POS-Isaac-L15 900.79962:306820000 901.80297:316876256 902.80633:108468448 53.00255:57188 53.03882:56028 53.6609:31222 55.05438:857414 57.03366:65504 57.06999:611920 65.03856:49732 67.05432:2286208 69.06993:1933023 71.04902:110467 71.08537:295760 79.05428:617586 81.06994:2958398 83.04893:53777 83.08552:1701972 85.06471:131508 85.10098:225246 91.05408:238576 93.06973:935697 95.08568:3017846 97.06459:168989 97.1011:1150416 99.08055:133921 105.07011:168559 107.08573:676624 109.10117:1788577 111.08021:152604 111.11676:527622 113.09567:100386 119.08523:201263 121.10138:1287824 123.11639:702914 125.09571:63810 125.13247:80986 127.11148:110012 131.08578:40157 133.1011:262130 135.11684:1155214 137.13222:359507 139.11206:100904 141.12672:35316 147.11647:203032 149.13235:552134 150.62753:35366 150.63448:37351 151.12494:28930 151.14784:280570 153.12724:127473 155.14253:29163 161.1319:192744 163.14787:287276 165.16438:147514 167.14281:46452 175.14818:194620 177.1636:98524 179.1795:58118 181.15918:25443 189.16319:80120 191.17955:51007 193.15871:24626 202.4084:36587 205.19461:38625 210.44649:25978 237.22147:27220 245.22627:205806 247.24242:282508 262.02505:41874 263.23584:470990 265.25333:708862 303.89066:48065 319.26236:102432 321.2785:46625 337.2742:98566 339.28827:343913 398.4509:24274 527.47791:42400 545.49109:32895 573.48352:57725 575.50372:91806 599.50671:88697 601.5199:7374110 603.53632:3355380 629.54736:97444 765.13129:24183 865.76428:19313 883.77618:66599 TG 54:5|TG 16:0_18:1_20:4 2392 22.454 898.78235 [M+NH4]+ 0.951 TRUE 14.36 898.78583 C57H100O6 TG WNGNQJVTTOEUDY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 36.1 78.2 100 7301.42 33-08-18-2022-POS-Isaac-S10 898.78577:2918526 899.78912:3525980 900.79248:1169446 53.00236:4790 53.03883:6213 55.018:4717 55.05449:46240 57.03367:4528 57.07007:119203 58.96262:3952 61.46742:3539 65.03886:4118 67.05442:117618 68.01628:3412 69.07001:107964 71.04903:4282 71.08548:96880 79.05407:51071 81.06968:159198 83.08562:111022 85.0647:14477 85.10105:57633 91.05427:99148 93.06987:69992 95.08532:185734 96.02835:3503 97.06467:11716 97.10127:64748 97.35742:3576 99.08061:5354 105.06964:66804 107.08537:51960 109.10128:95360 111.08034:8648 111.11696:23305 117.07015:39580 119.08541:94970 121.10083:85510 123.11652:46289 125.09573:9168 125.13254:6740 127.0639:3851 129.06943:13160 131.08505:44657 133.10124:79768 135.07979:4544 135.11699:56027 137.09608:5331 137.13251:20030 139.11197:4001 143.08575:18807 145.1013:27592 147.11687:41000 149.09624:7376 149.13251:25545 151.1479:14153 153.12721:5252 157.10091:25201 159.11688:17314 161.09576:7542 161.13222:28182 163.11209:7889 163.14787:13317 165.16318:8065 169.10165:4541 171.11705:37237 173.13266:10081 175.11217:9609 175.1487:25448 177.16379:5384 179.17955:3616 185.13182:31370 187.14795:13157 189.12741:8138 189.16367:30474 191.1796:6746 199.14847:16771 201.16367:15143 203.14322:5739 203.17902:146630 205.19466:6833 213.16344:10430 215.17909:5162 227.17877:5848 239.23662:23230 243.21063:7691 245.22652:4700 247.24252:12644 259.20663:7162 259.24246:7871 265.25336:31034 269.22586:91867 287.23599:82091 303.8623:9265 311.25931:5554 313.27353:110566 339.28845:92840 341.30328:6229 343.26126:6426 438.26495:3538 490.67996:3961 505.27475:3882 511.53281:3554 551.50403:10552 575.50153:8151 577.51526:424617 597.48529:3938 599.50531:93430 601.51953:12433 603.53607:4169 625.52069:90277 645.68903:3822 654.07507:3852 723.13574:4211 TG 54:5|TG 18:1_18:2_18:2 2393 22.096 898.7865 [M+NH4]+ adduct linked to 2402_[M+Na]+ 0.976 TRUE 22.101 898.78156 null null VVEBTVMJPTZDHO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.8 99.9 null null null 21445.83 20-08-18-2022-POS-Isaac-L16 898.78241:184296544 899.78576:195831648 900.78912:66993736 53.03883:136308 53.66069:99193 55.05445:1744390 57.03366:144145 57.07005:1259907 58.02061:77606 65.03857:172890 67.05439:6263615 69.07:3642604 71.04902:201915 71.08546:725149 79.05401:1976456 81.06965:8646414 83.04894:182563 83.0856:3065886 85.06469:250398 85.10098:363124 91.05423:903890 93.06983:3058420 95.08529:8336312 97.06465:428875 97.10118:1910806 99.08032:365583 105.06967:706953 107.08523:1945550 109.10127:4268500 111.08033:348400 111.11682:671359 113.09574:215966 119.08542:830350 121.10081:2849776 123.11648:2261640 125.09572:273899 125.13178:115338 127.11157:213383 131.08501:209074 133.10115:1230735 135.1169:2097215 137.13232:1032302 139.11195:131099 145.10115:176360 147.11674:939758 149.13251:1393948 150.1237:159479 151.14803:597112 153.12727:394553 155.14255:120947 159.11659:111594 161.13206:812097 163.14807:965801 165.16319:464509 167.14284:163015 173.13264:92553 175.14822:791057 177.16418:392767 179.1422:92404 179.17953:107958 181.15919:146377 189.1637:236097 191.17957:175776 193.15874:91749 202.40842:159438 203.17896:98774 243.21062:112053 245.22629:887265 247.24191:427977 261.22095:286393 262.0228:153542 263.23605:1733484 265.25339:1087927 289.25333:95860 319.26291:457015 337.2739:773599 339.2879:731038 381.43851:80580 525.46777:144078 527.48444:117442 543.47931:121617 553.50476:123868 575.50146:90749 597.47742:85602 599.505:11182613 601.51941:18985762 603.53717:504582 630.6073:96686 694.77063:80093 739.49377:89000 764.48425:89330 878.81879:96590 881.763:224360 TG 54:6|TG 16:0_18:2_20:4 2389 21.845 896.76831 [M+NH4]+ ion correlated with 2441; adduct linked to 2399_[M+Na]+ 0.927 TRUE 21.893 896.7674 null null NPELAMJIYLFQEL-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 97.9 96.1 null null null 9153.26 18-08-18-2022-POS-Isaac-L14 896.76819:123388824 897.77154:109077032 898.7749:36534056 53.00256:61361 53.03883:84767 55.018:43356 55.05456:499443 55.55887:30335 57.0339:57161 57.0702:1347529 57.68661:31373 62.35781:30623 65.03886:76178 67.01218:39628 67.0543:1810088 69.06992:1039618 71.04903:68012 71.08568:991145 75.16272:45407 79.05425:790998 81.06991:2231121 83.0855:1134095 85.06462:162000 85.10132:717450 87.61648:52609 87.82464:35449 91.0541:1181298 93.06966:968079 95.08564:2478768 97.06472:206603 97.10111:737920 99.08061:66510 101.43479:39944 105.0701:959741 107.08571:708637 109.10113:1247054 111.08034:147025 111.11671:192158 117.06997:614352 119.08525:1151768 121.10137:924082 123.08047:98235 123.11703:541735 125.09648:87064 125.13254:70331 129.07007:285031 131.08572:800991 133.10103:937523 135.08063:101336 135.11684:590495 137.09608:68146 137.13235:240862 141.06917:50128 143.08531:229088 143.24272:31500 145.10103:504803 147.08023:40309 147.11658:590844 149.09624:64754 149.13235:320255 151.1479:113306 155.08553:65194 157.10068:320376 159.11664:358789 161.09576:69210 161.13187:375207 163.11209:77391 163.1479:177087 165.16318:84388 169.10165:106580 171.11662:410344 173.13245:322192 175.11217:81014 175.14819:361823 177.16377:82189 183.11742:81543 185.13297:351199 187.14795:234762 189.12741:52076 189.16356:275723 191.1796:59403 197.13295:79419 199.14783:237871 201.12691:53238 201.16348:639552 203.14322:57652 203.17891:1037415 211.14803:69378 213.16344:107740 215.17909:46652 225.16487:60334 227.1806:75999 239.17912:49450 239.23616:311795 241.19527:76680 243.21063:50955 245.22652:94800 247.24252:69249 252.61237:32503 257.22644:50964 259.20663:41757 259.24246:83447 263.23767:187671 265.2533:185497 267.20959:322535 269.22568:502195 285.22092:334696 287.23581:438367 303.8623:56494 313.27316:1071333 337.27374:487450 339.28818:432260 341.24576:41988 367.28488:55353 384.81186:37866 423.72385:32898 549.46576:41711 575.50165:2755492 577.51532:2118429 597.48468:284610 599.50531:523968 623.50262:957779 TG 54:6|TG 18:1_18:2_18:3 2398 21.509 901.72284 [M+Na]+ 0.561 TRUE 21.521 901.72198 null null OTUIORVXGJUHBH-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 1435.26 21-08-18-2022-POS-Isaac-L17 901.72223:5620433 902.72558:5204981 903.72894:1807929 55.05439:17367 57.06999:4917 57.50594:2946 59.6607:3109 67.05431:55435 69.06998:36378 71.0857:4574 75.16028:3224 79.05433:23010 81.06995:67724 83.04936:4488 83.08552:22442 85.06512:4193 87.61296:3576 91.05415:11599 93.06966:35436 95.08565:63201 97.10122:19360 99.08062:3214 105.07016:7876 107.08574:25063 109.10137:25502 111.11681:6889 119.08529:11221 121.10138:36420 123.11707:14940 131.08583:5227 133.10114:12798 135.11687:30519 137.13229:6523 149.13242:9780 153.30234:3081 161.1331:4031 163.56482:3363 175.14825:4123 195.06049:3399 225.00175:3135 238.67561:2857 244.09874:3562 247.24255:4066 263.23831:9597 265.25354:6674 272.03403:3630 275.42285:3470 301.21555:3269 303.86517:11433 326.83026:3176 452.82178:3294 595.47565:4975 597.4845:23825 599.50385:31937 601.5199:37130 604.53223:3300 619.4682:54636 621.48499:54494 623.50195:55883 647.49835:5109 764.92706:4759 791.492:3661 901.73083:400350 TG 54:6|TG 18:2_18:2_18:2 2390 21.479 896.76868 [M+NH4]+ similar chromatogram in higher mz_2414; similar chromatogram in higher mz_2439 0.976 TRUE 14.02 896.7702 C57H98O6 TG HBOQXIRUPVQLKX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 49.1 75.7 100 15741.82 36-08-18-2022-POS-Isaac-S12 896.76782:47006636 897.77117:53229256 898.77453:18077712 53.0388:6072 53.6071:4808 54.65459:4040 55.01796:5038 55.05456:72196 57.03363:9864 57.07019:44444 65.03881:6775 67.05428:386945 69.06989:126928 71.04898:12158 71.08564:37959 79.05424:111406 81.0699:501413 83.04889:5686 83.08549:105727 85.06464:13136 85.10129:12432 91.05408:70412 93.06965:144535 95.08561:414819 96.08843:6379 97.06465:23593 97.10108:57093 99.08045:20233 105.07003:46275 107.08564:100675 109.1011:221312 111.08023:21555 111.11685:22560 113.09568:12996 117.06995:4483 119.08516:59308 121.10129:123737 123.117:124277 125.0964:12792 127.11149:6626 129.07013:3823 131.08572:12679 133.10101:85162 135.11678:85124 137.09599:7610 137.13211:58737 139.11188:5956 141.12756:4147 145.10107:9134 147.11656:56500 149.13228:54155 151.14787:30653 151.37349:4527 151.37949:7055 153.12712:11108 157.10168:4525 159.1165:11099 161.13297:63541 163.14775:47764 165.12775:5903 165.1642:11355 167.14391:6484 171.11662:3979 173.13254:10383 175.1481:48238 177.16368:16806 181.1591:4927 185.13301:4296 187.14783:4144 189.16344:17838 191.17946:4188 193.15863:5232 199.14796:4303 201.16353:4202 202.80461:9767 203.18039:8418 207.1747:4918 214.48755:3957 217.19405:4109 222.99149:3601 231.211:4230 243.21046:8279 245.22614:50502 261.22052:23201 262.59048:5788 262.60648:7886 263.23798:112809 299.26889:3888 303.86209:6009 319.26282:24077 335.25818:5809 337.2738:60626 339.29135:9125 358.85178:4230 364.86337:3838 369.73392:3742 443.3869:3863 472.83771:4107 525.46747:9858 543.47894:13950 549.48608:10608 550.49133:35604 551.4975:25000 561.55304:4443 597.48712:20139 599.50488:1089760 601.51855:21696 757.18396:4471 879.742:11045 883.00061:4378 TG 54:7|TG 16:0_18:2_20:5 2395 21.272 899.70892 [M+Na]+ adduct linked to 2387_[M+NH4]+ 0.976 TRUE 13.9 899.7099 C57H96O6 TG RTHDUZGGPUMUEU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 59.2 72.3 100 798.42 9-08-18-2022-POS-Isaac-L06 899.70947:6466078 900.71282:6646472 901.71618:2016463 53.0024:4107 54.15258:4606 55.05453:27905 55.06714:3429 57.03371:5433 57.07012:78574 65.03863:4246 67.05416:109560 69.06979:43857 71.08549:58163 75.48457:3396 79.05409:47416 81.06972:136108 83.08534:44323 85.10109:38134 91.05432:50825 93.06989:63636 95.08537:141418 97.06475:12546 97.10126:28296 105.06975:33266 107.08531:30168 109.10138:54949 111.11689:8610 117.06956:23909 119.08543:40814 121.10091:25679 123.11659:28261 126.39697:5403 129.06953:8280 131.08531:29410 133.1013:21825 135.11707:16891 137.13255:17343 143.0856:6087 145.10127:14184 147.11674:11015 149.13252:7703 151.14803:5620 153.12735:3681 159.11674:12658 161.13213:9771 163.14803:4723 163.47963:3439 165.53767:3713 167.14299:4399 171.11688:6009 173.1328:6786 175.14839:8314 184.04688:3379 185.13329:4881 201.16383:8611 236.19344:3680 239.23692:11370 245.22672:3288 263.23639:15184 303.22949:5405 313.27332:37514 325.21228:45967 332.35162:3892 337.27451:35640 345.37762:3406 411.19894:3613 422.10422:5076 573.49146:3725 575.50171:79343 578.51526:3808 595.46826:5745 597.48523:156250 619.46863:82704 621.4856:26634 643.4671:130683 899.71448:868691 TG 54:7|TG 16:1_18:2_20:4 2387 21.27 894.75348 [M+NH4]+ adduct linked to 2395_[M+Na]+ 0.976 TRUE 13.9 894.75452 C57H96O6 TG PRMRBZVOTCJWQD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 12.3 89.2 100 5480.47 15-08-18-2022-POS-Isaac-L11 894.75354:60317680 895.75689:71648280 896.76025:23671128 53.00237:8799 53.03884:9152 55.01801:5150 55.05443:92586 57.03368:15813 57.07005:107682 57.92632:3903 59.65353:3716 62.72874:4128 65.03859:12020 66.02038:3752 67.05437:260543 69.06998:180273 71.04904:14181 71.08545:76025 75.16168:6020 79.05398:140057 79.10414:3884 81.07001:349345 83.04896:9008 83.08558:160752 85.06474:25173 85.10101:49322 87.61473:4661 91.0542:169769 93.06978:196369 95.08526:327304 97.06469:38316 97.10119:97989 99.0801:14579 105.06964:118574 107.0852:115996 109.06453:8387 109.10124:169908 111.08044:20797 111.11691:34104 113.09577:3928 115.05389:8212 117.07004:95129 119.08532:140956 121.10077:168609 123.0805:10743 123.1165:94269 125.09576:15492 125.13257:4491 127.1116:6463 129.06947:45308 131.0851:134043 133.10112:117038 135.08066:9521 135.11688:137262 137.09612:9998 137.13232:39512 139.112:6416 141.0701:10516 143.08557:39907 145.10123:92345 147.08028:6927 147.11665:65776 147.29498:3938 149.09625:13921 149.13257:53646 151.11205:6586 151.14793:14844 153.12724:14686 155.08556:11845 157.10083:39999 159.11673:83535 161.09581:8832 161.1321:52289 163.11214:10293 163.14795:29862 165.16321:9085 165.34109:3698 167.14288:7016 169.10156:20623 169.77654:3894 171.11681:47377 173.09602:4416 173.13268:52868 175.11096:7077 175.14816:45486 177.12712:5353 177.16382:11251 180.04015:3661 183.11722:29697 185.13171:47194 187.14796:49616 189.12746:6935 189.1636:31736 191.17963:5050 197.13245:21624 199.14822:34667 201.12695:5189 201.16368:123293 203.14326:7307 203.179:56295 211.1478:18597 213.16348:13752 215.14357:7184 215.17914:4663 217.19595:5319 219.21008:16557 221.59332:15358 225.16312:16359 229.15846:6291 237.22131:32639 239.17918:9537 239.23605:17316 241.19531:12275 243.21068:10481 245.22656:11782 247.24258:9568 257.19107:6137 257.2265:4726 257.24863:4457 259.24252:6173 261.22104:4914 263.23581:22237 265.25314:21643 267.20984:78621 269.22617:27727 283.20496:5161 285.22101:78742 287.23557:29035 303.86804:4050 309.24118:4773 311.25912:66213 313.27319:67465 320.19635:5286 335.25848:8397 337.2739:65914 339.28821:66118 341.24921:7460 359.25748:4077 406.67975:4660 417.18951:4146 571.46912:4904 573.49066:151384 575.50165:487481 595.46796:53337 597.48541:63771 599.50531:13813 601.51971:20412 621.48456:59700 623.50244:75385 640.78516:4341 730.4986:4544 780.42157:4288 877.72925:5129 TG 54:7|TG 18:2_18:2_18:3 2386 20.853 894.7533 [M+NH4]+ 0.976 TRUE 13.89 894.75452 C57H96O6 TG NGPHUAVENUDDAO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 52.3 86.2 100 7207.97 9-08-18-2022-POS-Isaac-L06 894.75421:60824452 895.75756:69954248 896.76092:23830780 53.03887:79400 55.05443:619941 57.03371:60042 57.07007:284839 65.03862:81836 67.05437:3070134 69.06998:959716 71.04904:134925 71.08535:159591 79.05398:1254199 81.06962:3753358 83.049:103814 83.08558:804347 85.06476:121406 85.10099:90383 91.0542:676906 93.06977:1835739 95.08526:3198478 97.0647:268187 97.10115:412963 99.08006:140993 105.06964:609668 107.0852:1252921 109.10125:1613082 111.08045:200489 111.11693:141069 113.09583:100055 117.06943:139127 119.08529:761980 121.10076:1364381 123.08056:48566 123.11647:893410 125.09582:127705 127.11167:55476 129.06952:39106 131.08577:318582 133.10114:905777 135.11693:1035717 137.13235:355860 139.11119:68892 139.82292:32394 145.10118:348796 147.11671:718203 149.09634:42530 149.13245:624980 149.62054:40986 151.11211:35187 151.14778:196759 151.63599:47491 153.12733:83985 159.11668:264688 161.13213:547044 163.1479:471426 165.16328:104364 167.14297:55272 171.11687:49091 173.13271:281974 175.14832:437042 177.16391:131000 185.13191:49939 187.14809:132113 189.16341:141034 193.15891:40150 199.14824:36735 201.1638:78230 203.17912:47103 203.2009:55258 207.17339:36943 220.06445:157516 233.22675:45385 243.21088:238924 245.22646:309173 259.20682:125629 261.22092:858983 262.60455:38046 263.23593:715707 289.25357:37355 317.2489:252430 319.26385:135499 333.24127:35159 335.25836:163355 337.27435:406376 339.28845:50096 464.97363:38267 523.44922:174559 527.14038:37813 541.45862:84634 573.48407:53035 595.46759:162049 597.48596:6222867 599.50562:3777492 601.51996:67035 613.47919:42797 615.49884:70834 621.60968:34764 623.50244:57629 648.13605:32699 703.34314:35599 859.71191:38045 877.73108:135390 TG 54:8|TG 14:0_18:2_22:6 2381 20.712 892.73822 [M+NH4]+ 0.78 TRUE 13.77 892.73889 C57H94O6 TG AINACBPMKQPREK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 36.3 76.7 100 1522.8 9-08-18-2022-POS-Isaac-L06 892.73895:15590158 893.7423:17972956 894.74566:5980396 53.00239:27512 53.03887:29012 55.01803:19419 55.0544:183198 57.03371:24184 57.07002:446678 65.03862:23125 67.05435:862132 69.06996:358522 71.04907:21430 71.08542:349933 79.05433:331966 81.06997:1000685 83.04893:33928 83.08554:250447 85.06475:24426 85.10097:211182 91.05415:382483 93.06974:444985 95.08522:936259 97.0647:57553 97.10119:181535 99.08003:43237 105.06958:202717 107.08515:256083 109.10121:492581 111.08048:39607 111.11675:95823 113.09582:14740 117.07004:143506 119.08526:238319 121.06503:18416 121.10139:257534 123.08056:20567 123.11638:291001 125.09581:20473 129.06943:91779 131.0858:231999 133.10109:239567 135.08072:12957 135.11687:169015 137.13222:125140 139.11206:11732 141.06989:45004 142.07755:11031 143.08549:104755 145.10115:158298 147.08034:28840 147.11668:154630 149.09633:27688 149.13242:101007 151.11211:13548 151.14758:34319 153.12732:11460 155.08568:44958 157.10069:87386 159.11653:117448 161.09589:14784 161.13193:143673 163.1122:15977 163.14799:76629 165.16328:15993 167.08498:17175 169.10164:89352 171.11667:117218 173.13248:84002 175.11227:18763 175.14836:98397 177.16389:14686 179.14362:10132 181.10158:39322 183.11736:57055 185.13312:82958 187.11234:20528 187.1478:37473 189.12753:23893 189.16399:36733 193.19492:14343 195.11617:30781 197.13298:40816 199.11201:17407 199.14816:64110 201.12704:27551 201.1635:74291 203.14336:20135 203.17909:31381 209.13194:36572 211.14799:70320 211.20544:146290 213.16354:52939 215.17889:58316 219.21175:14217 220.05566:14315 220.06969:27605 223.14886:52533 225.16321:32401 227.14217:16308 227.17853:84838 229.15857:16780 229.21631:10343 237.22166:23378 239.17929:17311 241.15924:21229 241.19543:10709 245.22668:29465 251.17899:22354 255.17502:9955 257.19119:10675 263.23575:109240 265.19574:10254 267.21008:22057 269.22607:35561 279.52408:13750 283.24091:16740 285.2417:175936 293.22577:150810 309.22089:18045 311.23587:136716 319.26355:17713 337.27368:89564 339.25488:9914 356.01199:11638 367.26245:16523 385.27448:9096 547.4729:1927234 573.48401:22994 575.50189:21696 577.52301:15213 595.46796:278455 601.5199:16276 621.48566:40542 647.50702:297904 875.70911:11596 892.75812:9480 TG 54:8|TG 16:0_18:3_20:5 2391 20.707 897.69476 [M+Na]+ 0.512 TRUE 13.78 897.69427 C57H94O6 TG ZVGCGFFGDLIUQM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 50.8 74.5 100 343.17 17-08-18-2022-POS-Isaac-L13 897.69476:2037233 898.69811:1561548 899.70147:505483 55.05439:9159 55.78387:3275 57.07001:20294 67.05445:28696 69.07011:14972 71.0855:14682 79.054:16435 81.06972:32446 83.08563:18954 85.10095:9896 91.05428:15102 93.06986:23758 95.08534:36081 97.06469:4216 97.10115:12261 97.9667:3092 105.06959:7179 107.08531:14862 109.10127:21386 109.65694:2879 111.11682:6733 117.07005:6760 119.0853:7975 121.10093:16745 121.61457:2979 123.11643:8680 129.07024:3958 131.08504:10406 133.10115:5983 135.1169:15533 142.62267:3181 145.1012:7157 159.11664:5571 237.22156:4174 254.24968:3137 274.16599:3401 280.3461:2845 303.88794:13657 313.27356:5714 321.23846:4086 325.21243:9675 351.22806:14472 455.93613:3769 547.47522:17586 569.45227:22501 573.48376:11423 577.51532:3219 595.47003:21189 619.46924:14714 621.49292:6298 641.45844:22540 643.46735:25801 669.48151:5884 765.43848:5469 897.68933:244860 TG 54:8|TG 16:1_18:2_20:5 2380 20.496 892.7381 [M+NH4]+ 0.732 TRUE 13.77 892.73889 C57H94O6 TG WVSDNSFUOYSLDY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 31 79.9 100 576.86 18-08-18-2022-POS-Isaac-L14 892.73822:8321671 893.74157:6753055 894.74493:2239126 53.00236:4275 53.03883:13864 55.018:9403 55.05446:79552 57.03367:12157 57.0701:41234 65.03857:7273 67.0544:236700 69.07001:118687 71.04903:11635 71.08548:22631 73.4164:3714 75.16237:4428 79.05404:111609 79.38662:4196 81.06965:308180 83.04894:8664 83.08562:139378 85.0647:16027 85.10093:10233 87.61603:4421 91.05425:124987 93.06982:156006 95.04887:7589 95.08531:257678 97.06484:22561 97.10126:52986 99.08008:20791 102.12765:4407 105.06964:80131 107.08524:100089 109.01316:5229 109.0645:5314 109.10127:130974 111.08047:18474 111.11688:17140 113.09575:7064 115.05387:4954 117.07009:68491 119.08537:97041 119.28154:3693 121.10082:156284 123.08047:8637 123.1165:78975 125.09589:19031 127.11158:8300 129.06949:37689 131.08513:113294 133.10121:83832 135.07977:7507 135.11694:112804 137.09608:4823 137.13239:37747 139.11105:22101 141.07007:9234 143.08562:28652 145.10132:70614 147.11678:49252 149.09525:6749 149.13255:55722 151.1479:8914 153.12721:8744 155.08553:10703 157.10077:32972 159.11668:52969 161.1321:44311 163.11209:12318 163.14801:35395 165.12671:4971 169.10048:14303 170.1095:4439 171.11685:40384 173.13269:49375 175.11217:6314 175.14827:36991 177.16377:11031 180.48051:3982 183.11778:22475 184.07353:3948 185.13194:42654 187.14796:35532 189.16367:16678 193.15875:3784 197.13139:21459 199.14812:30083 201.12843:7096 201.16367:119997 203.14322:9165 203.17897:14539 208.19987:5632 211.14824:17087 213.16344:6020 215.14352:8426 215.17909:3851 219.20956:20057 225.16306:11842 237.22157:31636 239.17912:5647 241.19325:4540 243.21063:13165 245.22652:10093 257.22644:6550 261.22098:5500 263.23611:34750 265.19556:5447 267.20993:73695 269.22598:8208 270.58032:4101 283.2049:6434 285.22165:61644 287.2359:3935 295.2634:3726 311.25909:94068 337.27396:102713 339.28821:4701 341.24915:5678 341.59457:4074 388.66165:4456 545.45703:3633 547.47308:6812 571.46771:21127 573.48364:451735 575.50153:12335 577.51514:11271 595.46741:82037 597.48529:8200 601.51794:18321 621.4848:113043 713.59644:4273 765.96149:4866 875.72241:4782 TG 54:8|TG 18:2_18:3_18:3 2382 20.223 892.73822 [M+NH4]+ 0.439 TRUE 13.77 892.73889 C57H94O6 TG IMPMCCKWZKDAGE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 46.2 83.8 100 827.31 30-08-18-2022-POS-Isaac-S07 892.73834:3359475 893.74169:3913244 894.74505:1213649 53.03886:13553 55.01803:4271 55.05448:53586 55.77472:3338 57.0337:8136 57.07002:13928 57.50386:4056 65.03861:5561 67.05442:247238 68.33238:4487 69.03361:5762 69.07004:76301 69.96822:3645 71.04907:14036 71.08541:13463 72.04933:3538 75.15716:5597 76.61735:3951 79.05407:155826 79.6932:3676 81.06969:283682 81.73507:4329 83.04899:6388 83.08565:55691 85.06474:11405 85.10097:4154 87.60904:5732 91.05429:66646 91.38249:3467 93.06986:208724 93.14596:3385 95.04892:5005 95.08534:250328 97.06472:13284 97.10125:31576 99.08013:12588 105.06968:67218 107.08529:131610 109.06456:4369 109.10134:122771 111.0804:15545 111.11686:9085 113.09581:6388 117.06953:23529 119.0854:76803 121.10088:163823 123.08054:8194 123.11653:70095 125.0958:6700 127.11164:3601 128.03052:3677 131.08521:46543 133.10129:77160 135.11699:116237 137.09615:8798 137.13234:21311 139.11118:6178 145.10132:43899 147.11676:58077 149.13254:71210 151.11208:6182 151.14799:7552 153.1273:6115 159.11678:46551 161.13219:56556 163.14786:33714 171.11684:7044 173.13268:40762 175.14844:34456 177.16388:11878 185.13187:5718 187.14844:18113 189.16382:13465 201.16377:9559 203.17908:5535 229.26845:4299 233.22668:8257 241.1954:4200 243.21059:26346 245.22665:9946 259.2049:17822 261.22107:105561 263.23608:32847 275.19983:3892 299.23868:4640 307.03751:3509 315.23245:3860 317.2485:30249 319.26352:8388 327.33847:3702 333.24121:4861 335.25854:24892 337.27441:33294 441.02139:3859 455.64899:3548 500.24045:3951 512.1485:3806 521.43097:5124 523.45013:9169 541.46527:5703 595.46826:222545 597.48566:513060 599.50549:12367 620.23083:4055 727.84589:4009 764.72302:4604 844.59668:3907 875.70898:7605 TG 55:2|TG 18:0_18:1_19:1 2436 24.574 918.84827 [M+NH4]+ 0.439 TRUE 15.25 918.84839 C58H108O6 TG FLDIHXYPYWYZFS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 48.2 88.5 100 265.51 16-08-18-2022-POS-Isaac-L12 918.84882:1269889 919.85217:1002060 920.85553:385230 50.6789:2998 55.05437:22605 57.06999:47204 67.05431:41488 69.06996:47343 71.0854:36927 75.16134:3568 79.05432:8554 81.06995:62255 82.30204:3333 83.08553:50709 85.10084:20107 92.71645:3205 93.06969:14267 95.08566:75494 96.98569:3060 97.10112:45425 99.08063:4070 107.08577:10796 109.10115:43302 111.1169:16542 121.10152:22828 123.1164:17034 124.03308:3319 125.13258:6535 126.83512:3960 135.11691:20797 137.13232:5894 139.15694:3056 142.31596:3274 149.13245:11781 151.14795:4687 222.58115:6109 222.59183:5229 247.2426:6017 253.2516:4077 265.2536:11825 267.26862:4602 279.26828:3449 295.72702:3294 299.85919:3120 310.62366:3053 316.21106:3266 575.50171:6576 577.51532:12683 591.53162:26635 603.5368:50328 605.54761:64632 617.55328:89268 619.56769:129905 621.57672:16857 631.56049:18215 645.58429:25283 TG 55:3|TG 19:0_18:1_18:2 2431 23.703 916.82996 [M+NH4]+ 0.488 TRUE 14.91 916.83282 C58H106O6 TG HGBRTIWMKISQHH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 46.6 90.2 100 769.51 37-08-18-2022-POS-Isaac-S13 916.83258:391914 917.83593:332753 918.83929:97036 55.05456:4020 57.0702:15792 57.32724:3387 59.90357:3240 62.54109:3227 67.05431:18678 69.06988:9757 71.08565:11388 71.30977:3142 73.73174:3207 81.0698:23745 83.08551:13871 85.10087:6829 92.89447:3044 93.07014:3416 95.08578:21959 97.10106:7067 102.12759:3454 107.08567:3379 109.10129:16443 111.0809:3507 111.11673:4571 120.73733:2833 121.10135:9748 123.11706:10672 135.11679:8843 137.13219:3605 149.13229:4635 202.47479:2918 210.4464:3042 214.63095:3082 263.2381:3071 265.25104:4256 281.4046:2871 303.86496:12898 314.38647:3163 376.84937:3026 391.31552:3943 395.35226:2710 409.17822:3181 418.78094:3140 428.94986:3022 569.91718:3166 589.52191:6098 601.51874:31612 603.3606:3567 603.53571:5811 617.55347:32386 619.56903:29456 629.54572:4154 631.56006:4365 712.29822:3385 765.10828:6738 TG 55:4|TG 18:1_19:1_18:2 2426 22.999 914.81726 [M+NH4]+ 0.829 TRUE 14.61 914.81708 C58H104O6 TG SIBZLFBPHPTNKZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 57.3 90.1 100 682.95 16-08-18-2022-POS-Isaac-L12 914.81763:5093489 915.82098:5385984 916.82434:1832120 53.03884:4376 55.05443:46768 57.03368:6601 57.07006:39881 67.05438:135351 69.06999:105011 71.08545:24732 75.16134:7005 79.05441:34733 81.07005:177590 83.0856:88421 85.06472:9517 85.10095:13220 87.61474:5604 91.05416:13305 93.06984:49673 95.08531:183880 97.06469:4939 97.10124:71599 99.0801:9144 105.06959:11822 105.71369:3815 107.08526:39579 109.10129:104522 111.08037:11243 111.11698:27841 113.09642:6565 119.0853:14208 121.10084:61083 123.11659:47527 125.09576:4144 127.11161:4876 129.21442:3412 131.7644:3721 133.10118:16528 135.11707:60596 136.06792:3573 137.13257:23061 139.11111:4130 147.11665:13065 149.13254:33453 151.14793:11937 153.12726:7993 161.13203:14596 163.14824:21142 165.16435:12293 175.14828:12879 177.16383:7182 179.1796:3819 244.20732:3285 245.22684:16147 247.24258:11519 261.25729:4529 263.23642:21423 265.25153:19150 279.26837:21870 303.86237:6700 319.2634:6541 337.27429:8347 339.2883:12328 353.30499:8178 404.41763:3416 546.48438:3650 587.49921:11548 589.51477:18402 599.50647:32766 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113.09585:6109 117.07012:5574 119.08534:21610 121.10077:69434 121.65281:3062 123.11645:35754 127.11169:4862 131.08513:11703 133.10114:20396 135.1169:55956 137.1322:20020 139.11121:5580 145.10129:10363 147.1171:21729 149.13242:32709 151.14804:6741 153.12735:6596 159.11674:10282 161.13213:11583 163.14809:22679 163.62222:3376 165.16331:6544 173.13281:5653 175.14839:12319 175.74968:2956 177.16394:8643 179.1797:3096 187.14812:7450 189.16388:4921 191.17975:4706 203.17914:3304 243.21083:4440 245.22673:8751 247.24274:3947 251.23674:4253 261.22119:10774 263.23624:16649 265.25375:13193 271.24118:8185 277.25272:5697 279.26843:6010 284.84961:3642 289.25311:14708 291.63965:3055 303.86255:11087 314.73132:3584 322.99823:3525 337.27451:7347 339.28851:8841 345.27774:6056 353.30521:6691 371.11603:3441 385.42072:3138 426.60431:3119 565.52502:3781 566.52258:9134 567.52277:11784 575.50201:5718 576.36261:3624 585.48676:4628 587.49957:6344 589.51562:61512 599.5058:61852 601.5199:41296 603.53656:7868 613.52032:107831 615.53229:127060 617.55359:27890 625.51312:11894 627.53375:44767 639.5249:9671 653.5462:4024 678.34686:3349 764.62115:7170 776.33044:3595 879.53326:4187 895.77289:5405 TG 55:6|TG 16:0_18:1_21:5 2421 22.136 910.7843 [M+NH4]+ 0.707 TRUE 14.27 910.78583 C58H100O6 TG UNPXUBLMCFALAR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 40.3 86.1 100 487.82 31-08-18-2022-POS-Isaac-S08 910.78418:382893 911.78753:448802 912.79089:221823 52.03545:2632 55.05441:3855 57.07002:9847 58.46541:2627 59.68126:2893 61.23504:2544 62.88052:2855 67.05406:11892 69.06996:9493 70.87547:2868 71.08541:4925 81.0696:11913 83.08517:8661 85.10098:6226 90.98241:2942 91.0542:4474 93.06977:6052 95.08522:16449 97.10119:8546 105.06963:4518 107.08521:5551 109.10127:7501 116.4747:3010 117.0701:4185 119.08535:5442 120.98998:2991 121.10079:7853 123.11648:4590 124.08727:3360 131.08591:5069 133.1012:3484 135.11696:10005 145.10126:5626 159.1167:5598 165.49876:3650 173.13277:3276 175.14835:4630 191.31599:3180 197.75111:3578 201.16379:8102 215.17923:4262 217.43852:22515 217.45229:12683 239.23688:4144 255.20784:3288 265.25137:3376 281.22513:5820 299.23593:6854 313.27371:7563 326.54199:3047 339.28842:7660 577.5166:37391 589.51495:5779 611.50226:15590 637.51611:15128 650.25806:3014 709.48077:3202 TG 55:6|TG 18:2_18:2_19:2 2420 21.851 910.78375 [M+NH4]+ 0.439 TRUE 21.886 910.78314 null null VTBWUTMZHHJWFO-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.9 98.5 null null null 450.01 8-08-18-2022-POS-Isaac-L05 910.7843:1092160 911.78765:936114 912.79101:403854 55.05443:10807 57.07027:9207 67.05438:38835 68.37275:2747 69.07002:17524 71.08543:4645 79.05437:11979 81.06999:44322 83.08571:17624 85.101:5010 91.05422:10416 93.06984:15424 95.08523:44924 97.06475:4679 97.10121:8622 105.07024:3342 105.66826:2967 107.08524:10598 109.10126:21489 114.95268:3183 119.08538:6511 121.10141:14193 123.11651:13163 133.10124:9536 135.11699:11655 137.1324:4050 145.1013:3957 147.11676:5045 149.13252:8560 161.13214:4165 163.14803:7790 173.13281:3543 241.09297:2899 263.23621:5616 273.49484:3212 289.25363:6051 303.88815:9900 372.96115:3248 515.91467:3069 527.19897:3159 566.25488:3017 584.60559:3208 587.50024:19704 597.48584:10234 599.50555:15792 601.52008:5198 611.50208:6249 613.52112:50841 615.53174:11369 625.52155:10958 651.96167:3341 743.24365:3220 756.96155:3500 769.22705:3125 TG 55:7|TG 15:0_18:2_22:5 2415 21.767 908.76984 [M+NH4]+ 0.585 TRUE 14.02 908.7702 C58H98O6 TG DBLWBMOGRRODGG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 10.9 90.1 100 591.54 18-08-18-2022-POS-Isaac-L14 908.76941:2224434 909.77276:2725935 910.77612:1009087 53.48432:3202 55.05439:6121 56.36721:3350 57.07006:14466 62.87006:3036 67.05441:19431 67.18036:2714 67.34115:3047 69.06993:10224 70.07104:3113 71.08538:11068 76.41002:3175 79.05393:10421 81.06962:22262 83.08553:11483 85.10094:8772 88.1725:3081 91.05415:10539 91.67435:2980 93.06973:8479 95.08529:26950 97.10114:7793 99.46077:2831 105.06959:4423 107.08516:7303 109.10137:14754 115.70452:2857 117.07004:4322 117.38004:2753 119.0853:9044 121.10073:11124 123.11642:6789 126.13489:3014 131.08504:6314 131.43134:2736 133.10114:6753 135.1169:3802 136.94887:2823 137.13229:3139 145.1012:3199 147.11665:3867 149.13242:5050 156.35925:3190 159.11662:3191 161.13202:3803 171.80373:3537 173.13145:3343 173.494:2870 203.179:4337 313.27356:4714 332.729:3225 561.4892:5516 563.50201:28214 575.50055:16169 589.51471:6769 603.53613:6283 611.50159:5115 635.50659:5399 649.51965:4375 TG 55:7|TG 16:0_18:2_21:5 2414 21.497 908.76978 [M+NH4]+ 0.902 TRUE 14.02 908.7702 C58H98O6 TG QTSSTSCQCNNCAZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 35.6 84.6 100 632.17 21-08-18-2022-POS-Isaac-L17 908.76904:4944594 909.77239:5709601 910.77575:1958792 53.00235:6319 53.03883:11516 55.05441:70455 57.03367:8196 57.07003:134432 65.03857:5642 65.11776:3904 67.05435:234020 69.06996:106728 71.04903:8279 71.08543:103414 75.16062:5085 78.17465:4016 79.05435:106904 81.07:320474 83.04894:5946 83.08558:100531 85.06469:15548 85.10102:69934 87.61339:5595 91.05416:143169 93.06977:140069 95.08524:286605 97.06466:15648 97.10113:62111 99.0806:13829 99.11661:6203 105.06961:90514 107.08519:88265 109.10122:157516 111.08034:16048 111.11678:21075 113.09575:4037 115.05387:4498 117.07002:86022 119.08532:101906 121.10075:85055 123.08047:4099 123.11649:82053 125.09573:10031 129.06947:32246 131.08508:104317 133.1012:94675 135.08063:6701 135.1169:73588 137.09607:7699 137.13237:34878 139.11108:8578 141.06915:5858 143.08559:30096 145.10118:69800 147.11662:53817 149.09624:7512 149.13231:42101 151.1479:10840 153.12823:5725 155.08553:6851 157.10086:24982 159.11668:70568 161.132:44075 163.11209:6441 163.14803:25220 169.10165:9068 171.11668:26817 173.13264:49035 175.11217:5383 175.14845:33089 175.9498:3549 177.12708:9459 177.16377:9609 183.11607:12730 185.13184:23933 187.14793:33457 189.1274:9165 189.16399:18654 197.1329:16675 199.14838:32304 201.16365:88497 203.1432:7550 203.17896:11467 209.13347:3818 211.14771:25556 213.16331:28200 215.17932:37394 217.15811:7023 221.22719:4203 223.14722:5446 225.16486:10986 227.17876:6777 229.15842:4700 239.17912:7701 239.23701:35981 245.22652:8994 253.19527:7021 257.24637:4732 263.23602:39886 265.25351:3913 279.21057:3919 281.22495:63922 297.22034:10281 299.23557:73757 303.89355:7431 313.27371:101241 319.26025:7814 325.27216:4074 337.27405:67923 339.28821:9625 355.26291:10467 356.90405:3981 371.25772:5374 403.95514:3987 417.92224:3720 561.46765:4348 575.50208:436760 577.52258:5312 579.47949:4475 587.49805:22890 589.52222:6895 609.48529:5734 611.50232:126989 623.50195:4613 635.49847:130816 637.51495:6649 705.9834:3946 764.32544:4332 891.74176:8870 TG 55:8|TG 15:0_18:2_22:6 2409 21.103 906.75439 [M+NH4]+ 0.659 TRUE 13.86 906.75452 C58H96O6 TG CCWZMJPDSMVFGX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 42.3 72.8 100 395.85 40-08-18-2022-POS-Isaac-S16 906.75372:456562 907.75707:533252 908.76043:195001 52.50929:3252 55.05457:6712 57.06995:8794 57.59755:3313 61.59174:2674 67.05424:13750 69.06988:7849 69.98291:2893 71.08533:6185 79.05425:5412 79.37025:3201 81.06993:19773 83.08548:4817 85.1013:4969 91.05409:9134 93.06967:6798 95.08526:22965 96.17749:2998 97.10107:4800 102.22406:2713 107.08509:5544 108.93433:2849 109.10114:10855 119.08521:7697 120.96198:2932 121.10065:5736 131.08495:3772 133.10104:5269 145.10109:3299 147.11655:3269 161.13191:3331 220.25705:17061 227.6407:3227 251.39893:2951 263.23584:3188 288.62048:3181 435.60748:3329 561.48871:41109 609.48499:4591 647.49792:8262 TG 56:10|TG 18:2_18:3_20:5 2430 19.905 916.73669 [M+NH4]+ 0.61 TRUE 13.7 916.73889 C59H94O6 TG FTNSTQXEJOMCOI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 33 79.4 100 458.11 19-08-18-2022-POS-Isaac-L15 916.73669:5050691 917.74004:5748798 918.7434:1854557 53.03883:14068 55.01799:11098 55.05442:54817 57.03366:15985 57.07008:23785 57.58162:4415 65.03857:8927 67.0544:278445 69.07002:87505 71.04902:11876 71.08536:12352 79.05402:162525 81.06965:336199 83.04894:8528 83.08563:66333 85.06474:20753 85.10092:6024 91.05424:146524 93.06981:241540 95.04886:7846 95.08529:306388 97.06481:31698 97.10119:49417 99.08007:10591 102.12764:5316 105.06969:118651 107.08524:156961 109.10127:157997 111.08042:18490 111.11679:10301 113.09574:11483 115.05386:6340 117.0701:94981 119.08536:157706 121.10079:185373 123.08046:15122 123.11644:68180 125.09586:17419 128.06232:6844 129.06944:40883 131.0851:149025 133.1012:129521 135.08061:8047 135.11694:134138 137.09605:9005 137.13223:28161 139.11195:5872 141.06915:12486 143.08545:40251 145.10118:101993 147.11676:90482 149.09622:13211 149.13255:73617 151.11198:8847 151.14789:16277 153.12721:10481 155.08551:15326 157.10091:42026 159.11665:104286 161.09575:8232 161.13203:83780 163.11208:11282 163.14784:48373 165.12784:7184 165.16429:4871 169.10048:24975 171.11678:40102 173.13271:70993 175.14825:56473 177.12706:10250 177.16347:18367 183.11742:24430 185.13197:48978 187.14793:55304 189.16357:25551 191.14268:4851 191.17957:4044 193.16019:4154 195.11749:7569 197.13254:26376 199.14806:26378 201.12689:11486 201.1636:158532 203.1432:7372 203.17896:16540 203.20071:4957 209.13345:4955 211.14816:23010 213.16341:16528 215.14349:7743 217.1581:5806 223.1472:7735 225.16309:21937 227.17874:6255 239.17911:11046 241.19524:14570 243.2104:18360 245.22646:20788 257.22641:15676 259.2066:6515 261.22092:56022 263.23608:51541 267.20969:89594 269.22595:4657 283.2049:11494 285.22104:84696 287.23849:7030 299.23849:4495 303.86227:6032 317.24814:17034 319.26331:6177 335.25812:107760 337.27408:138124 391.28247:6256 513.07642:4129 545.43646:4920 595.47589:16889 597.48529:636676 599.50568:49735 601.51788:32543 619.46838:114783 621.48468:152195 623.50195:4195 764.73389:5642 870.26703:3949 899.71387:5688 TG 56:2|TG 16:0_18:1_22:1 2461 25.041 932.86316 [M+NH4]+ adduct linked to 2470_[M+Na]+ 0.561 TRUE 15.45 932.86407 C59H110O6 TG DSGUAGSLOJNCIC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 66.5 90.1 100 1438.26 18-08-18-2022-POS-Isaac-L14 932.86249:6740318 933.86584:5944930 934.8692:2005195 50.92495:4735 53.00236:9976 53.03883:5182 53.29145:3895 55.05453:131644 57.03367:5934 57.07014:253713 67.0542:198695 69.0698:286485 71.04903:14903 71.08556:211199 79.05414:38987 81.06975:319414 83.08532:302360 85.06493:17552 85.10113:141414 91.05414:8842 93.06997:59661 95.08541:392781 96.0238:3998 97.06466:11106 97.1013:217988 99.08007:12366 99.11661:8189 107.08538:55955 109.10141:240948 111.08034:10391 111.11698:95743 113.09575:13324 121.10096:124661 123.11659:103080 125.13222:25421 127.11157:7696 135.11626:106007 137.13252:41843 139.11108:7931 139.14809:7864 141.12674:10642 149.13252:47172 151.14723:30481 153.12721:9560 154.12482:6713 154.13097:8083 161.59412:5304 163.14809:21312 165.16348:21061 167.14284:5712 177.16377:9221 179.17953:4339 180.28024:3902 191.17958:4852 205.19466:4591 207.32538:4803 209.19031:3994 215.6611:4277 221.22543:6383 221.84669:12433 221.85912:4320 239.23715:54171 247.24261:30904 256.26141:5467 265.2536:80541 269.28525:6634 293.2825:6912 303.30576:13851 313.27356:17923 321.31589:56782 339.28821:14766 341.34729:6423 377.34094:5243 395.35248:14081 549.48401:20854 563.37933:5321 575.50146:15625 577.51514:731042 603.53436:33244 605.54645:70710 631.56897:59479 633.58417:575325 635.60107:12446 659.59607:660992 661.61047:14216 696.08978:4168 874.91614:4201 TG 56:3|TG 16:0_22:1_18:2 2468 24.016 935.80267 [M+Na]+ 0.732 TRUE 15.16 935.80377 C59H108O6 TG VCXFLYWYNHWJJD-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 56.9 74.4 100 282.82 18-08-18-2022-POS-Isaac-L14 935.80243:1962246 936.80578:1611185 937.80914:512982 55.05439:9895 57.07012:18292 61.08558:2859 64.27337:2814 67.0542:18872 69.06976:18507 71.0855:16586 71.59839:4004 79.05431:5512 81.06963:34768 83.0857:21679 83.50139:2775 85.10098:14058 90.80839:2848 93.06973:8927 95.0853:36008 97.10121:15271 109.10135:19723 111.11682:5793 114.34635:3132 121.10073:8346 123.11642:13068 123.96043:3669 135.1169:6011 137.13229:6432 149.13242:5125 178.36609:3277 185.09531:3599 185.34157:3838 201.79926:3119 219.27312:20856 565.19269:3796 575.50159:12239 597.4859:22621 603.53613:3511 625.5127:3541 631.56055:6496 633.58459:11306 653.54572:6399 655.55933:9501 657.58221:9816 679.56342:18344 914.77832:3478 935.80768:219439 TG 56:3|TG 18:0_20:1_18:2 2455 24.043 930.84729 [M+NH4]+ 0.683 TRUE 15.15 930.84839 C59H108O6 TG QJRMAUGZWXXFNC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 47.3 91.7 100 3819.71 7-08-18-2022-POS-Isaac-L04 930.8476:17658386 931.85095:12575987 932.85431:4527431 51.13652:6647 53.0026:19932 53.03887:16398 55.05444:184730 57.03371:20853 57.07003:461547 61.20316:6836 65.03862:15783 67.05436:615350 69.06996:451244 71.04908:18683 71.08542:367453 79.05434:121341 81.06998:861138 83.08556:489129 85.06465:35281 85.101:239622 85.13386:7146 91.05414:47723 93.06975:207972 95.08524:893439 97.06469:33915 97.10115:389466 99.08061:47157 99.11668:10601 105.06974:43025 107.08576:132248 109.10122:556431 111.08031:32565 111.11684:175579 113.09582:27924 113.13263:7466 119.08535:54110 121.10147:234608 123.11644:287401 125.09657:14868 125.13253:39418 125.84042:6558 127.11166:16814 131.08591:10062 133.10136:71662 135.1169:190122 137.13232:135648 139.11206:14731 139.14818:7723 141.12775:18045 147.11658:57279 149.13232:126272 151.14795:69336 153.12732:18548 154.56754:7434 157.63492:7860 161.1321:62434 163.14793:73188 165.1646:31414 167.14296:15765 175.14841:41714 177.16389:29700 179.14363:9442 179.17967:17619 181.15804:8201 189.16383:18599 191.17828:13981 193.19492:9274 196.52089:9939 197.22226:9168 203.17911:10194 210.54012:7287 219.21175:9588 221.19026:7566 222.53667:21704 239.23689:8412 245.22662:62551 247.24269:18735 251.12556:7959 254.40656:9322 261.44565:8847 263.23581:124894 265.25305:57621 267.26788:36628 275.27341:21914 291.26834:22924 293.28467:72510 305.05734:6538 313.27371:10665 319.26328:31071 321.31586:20847 337.27444:18631 339.28845:22451 341.30624:58064 347.29431:11798 367.32172:30697 553.58905:7114 575.50165:244406 577.52301:26083 582.23022:6860 601.52008:192012 603.53601:960059 605.54724:242999 629.54633:998369 631.56891:501287 633.58447:865535 657.58228:210999 666.39612:7998 669.56549:7912 913.81421:8293 TG 56:4|TG 18:1_20:1_18:2 2453 23.286 928.83032 [M+NH4]+ ion correlated with 2405; adduct linked to 2463_[M+Na]+ 0.976 TRUE 14.79 928.83282 C59H106O6 TG RHGAXCJSYVVFNV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 62.7 91.3 100 4332.72 39-08-18-2022-POS-Isaac-S15 928.82996:2604982 929.83331:2873540 930.83667:1064928 55.05439:67926 57.03363:4854 57.07003:50762 58.81944:3552 61.32354:3356 63.43927:3610 65.03881:4444 67.05434:168268 69.06994:142330 71.08539:31845 75.16721:6002 79.05432:40085 81.06997:233828 82.08316:3712 83.08555:129351 85.06463:10094 85.10086:14167 87.62169:4280 91.05418:16196 93.06977:66599 95.08522:238280 97.0646:10184 97.10117:92287 99.08:14825 105.04637:4207 105.06949:9841 107.0852:45911 109.10122:127290 111.08045:17466 111.11679:36075 113.09567:8740 119.08519:14005 121.10074:90201 123.11646:59636 125.09564:4371 125.13245:8623 127.11148:5437 133.10103:19486 135.11687:80104 137.13235:25804 139.11099:4631 141.12665:5829 145.59866:3534 147.11664:19210 149.13237:42587 151.14799:19328 153.12711:13089 161.13193:15744 163.14755:20785 165.16306:12798 167.14273:4251 175.14812:14663 177.16365:4722 179.17941:7769 189.16357:4807 193.19464:3602 203.17882:4217 221.79689:4058 221.80753:12904 245.22661:19299 247.24236:11173 263.2359:37006 265.25311:35816 268.63394:3764 275.27301:8171 293.28326:24552 319.26309:6238 328.95901:3771 337.27396:7543 339.28745:18300 367.31863:10893 370.73196:3768 413.78409:3554 599.50476:5321 601.52008:310274 603.53705:50104 621.76685:3364 629.54706:377171 631.56116:239007 636.77209:3636 660.56073:4234 794.18762:3965 820.40973:3803 906.76593:4032 911.79956:5287 TG 56:5|TG 18:0_18:1_20:4 2450 23.072 926.81714 [M+NH4]+ adduct linked to 2458_[M+Na]+ 0.976 TRUE 14.58 926.81708 C59H104O6 TG NMOSKFDAUMPINK-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 37.9 81.5 100 4110.13 42-08-18-2022-POS-Isaac-S18 926.81598:1212894 927.81933:1345790 928.82269:421921 55.05457:5098 57.07023:14061 61.52123:2950 65.92513:2818 67.05425:16202 69.06991:15926 70.16429:2902 71.08566:12465 76.59676:3094 79.05426:10783 81.06995:21026 81.76634:3952 83.08553:14369 84.17839:3047 85.10089:11500 91.0541:18616 93.06968:10612 95.08567:27021 97.06514:3109 97.10108:11714 105.0701:11518 107.08569:6862 107.75204:3483 109.10104:19639 111.11675:3762 117.06998:9282 119.08522:23115 121.10137:12807 129.06937:3583 131.08577:10152 133.1012:16831 135.11682:9245 137.13222:3101 140.52744:3074 145.1011:6562 147.11656:8710 149.13232:4088 149.55064:3058 157.10172:5281 161.13193:5666 171.11665:7067 175.14816:4872 185.13306:5716 186.45712:3550 187.14787:4466 189.16364:6220 199.14952:3248 201.16512:3806 203.17908:27837 214.88441:3255 219.55511:2741 226.18936:3152 265.25342:6767 269.22592:15873 275.00845:3061 287.23566:16555 303.86218:7403 310.6969:2862 339.28793:17736 341.30237:14938 605.54767:67792 625.51971:17147 627.53552:20385 726.50836:3276 765.22205:4004 TG 56:5|TG 18:0_18:2_20:3 2449 22.872 926.81714 [M+NH4]+ 0.512 TRUE 14.57 926.81708 C59H104O6 TG VGJOCITXEKJUQM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 47.4 92.2 100 4708.04 6-08-18-2022-POS-Isaac-L03 926.81744:18952538 927.82079:19888448 928.82415:6735257 53.00239:16377 53.03886:27661 55.0544:130459 57.03371:14135 57.07003:342390 65.03862:14030 67.05435:543771 69.06996:221827 71.04908:14366 71.08542:260708 79.05434:221327 81.06999:702871 83.049:13343 83.08556:223280 85.06469:27921 85.10097:200652 91.05415:148821 93.06975:405981 95.04893:11579 95.08523:665535 97.06476:26032 97.10115:198435 99.08018:34584 99.11668:11200 105.06958:133628 107.08518:242764 109.06458:10423 109.10122:349836 111.08048:32050 111.11686:63983 113.09577:29417 117.06998:43234 119.08532:124655 121.10143:256746 123.08056:6360 123.11641:178884 125.09582:12862 125.13263:12343 127.11166:17172 129.0703:7794 131.08498:81690 133.10115:111148 135.1169:158145 137.09618:12815 137.13229:67614 139.11208:17770 141.12685:5686 143.08559:9152 145.10114:86454 147.11659:87977 149.13249:100836 151.11211:11091 151.14789:38739 153.12733:15699 154.64389:5989 157.10085:10933 159.11673:52656 161.13193:83924 163.11221:12024 163.1479:131563 165.16328:20894 171.11685:14700 173.13252:47935 175.14828:85890 177.1272:9127 177.1637:66242 179.14233:8527 179.17967:12056 181.15804:6642 185.13326:10727 187.14787:40508 189.1637:47110 191.1794:39380 193.19492:7314 197.93486:8730 199.14822:12704 201.16373:26471 203.17854:24572 205.15851:8118 205.19479:7827 206.06694:5935 213.16357:7574 215.17879:25319 215.46078:5503 217.19434:6426 219.17516:12260 239.23689:8773 243.2108:12644 245.22649:31760 247.24271:14333 249.25833:11331 254.40656:5820 261.22116:18471 261.25742:8946 261.44568:7434 263.23587:68956 265.25299:23287 267.26883:28545 269.22614:10485 271.24081:89023 287.23593:24750 289.25314:236212 304.98587:5364 313.27371:13845 315.26855:12003 317.24905:6286 319.26355:16402 337.27386:48128 339.28864:26811 341.30627:79129 343.26151:6051 345.27722:71018 363.29013:23703 551.48358:15511 555.51685:7392 577.51489:45835 580.53717:11518 581.54462:7596 599.50562:11623 601.51996:38140 603.53595:728255 605.55518:10208 625.52075:645309 627.53229:117393 629.5462:569421 631.56732:23472 653.54639:48409 843.3465:7413 891.78528:8247 909.79419:22583 TG 56:6|TG 16:0_18:2_22:4 2446 22.391 924.79797 [M+NH4]+ adduct linked to 2454_[M+Na]+ 0.878 TRUE 14.44 924.80151 C59H102O6 TG LHSNAXFSIRQNDS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 40.3 90.8 100 8631.61 20-08-18-2022-POS-Isaac-L16 924.80176:64128384 925.80511:57696600 926.80847:20980908 53.00256:55986 53.03882:65666 55.01799:25829 55.05438:463013 57.03366:64962 57.07:1063522 65.03885:56025 67.05432:1902905 67.68715:21827 69.06993:868851 71.04934:67948 71.08537:787618 75.15886:20872 79.05428:675274 81.06993:2321900 83.04893:33340 83.08552:907432 85.06475:102228 85.10091:630592 91.0541:878916 93.06972:949712 95.04885:41907 95.08567:2274262 97.0646:109667 97.10111:483353 99.08056:159516 99.1166:34633 105.06954:747217 107.08572:641067 109.0651:24225 109.10117:1210138 111.08039:105863 111.1167:147602 113.09573:70247 117.06991:297682 119.08525:767987 121.10136:723995 123.08045:26074 123.1171:487618 125.09571:67747 125.13252:25295 127.11156:24252 128.06232:24556 129.07018:117925 131.0858:397697 133.10104:776098 135.11684:529647 137.09605:53334 137.13232:237301 139.11195:44942 141.07005:19596 143.08513:113761 145.10104:336674 147.11658:431232 149.09621:56312 149.13235:286096 151.14771:127790 153.1272:41607 154.56844:19876 157.10062:107455 159.11652:204830 161.13197:358392 163.11208:38935 163.14784:216140 165.16428:62098 167.14282:25497 169.10045:33225 171.11665:211849 173.13243:168002 175.14819:304178 177.12704:31677 177.16354:106891 179.1422:23938 185.133:164003 187.14752:138108 189.12738:31201 189.16318:183826 191.17955:62690 193.15872:33756 195.4324:19910 199.14796:104229 201.1636:194255 203.17886:490006 205.19463:68972 207.7603:25976 211.14799:37948 213.16322:153335 215.17902:158007 217.15808:29989 217.19553:262614 219.20981:21616 221.22716:26311 222.71835:64882 225.16302:31100 227.17873:71178 229.19563:75794 231.17339:22997 231.2112:104096 233.19022:23381 237.03722:20190 239.23666:241507 241.19524:38978 243.21059:41522 245.18938:35235 245.22644:91433 247.24249:21888 255.20982:31738 256.26358:21888 261.22092:38380 263.2359:234482 265.25348:27998 269.22592:31723 269.9292:27858 271.24329:42503 285.25751:18781 287.23846:37546 287.27243:53938 289.25333:40452 295.24158:26060 297.25864:372155 313.25262:105246 313.27344:444734 315.26816:705622 319.26328:41310 331.2644:21462 337.27377:284630 339.28815:73427 368.87314:18613 371.29614:177380 387.28735:56653 389.30402:53486 404.90686:20114 521.55206:20562 575.50159:2568222 577.5177:198167 581.21301:20203 583.4231:19568 601.52002:169867 603.53693:131399 623.50012:87471 625.521:224607 627.53314:1447136 629.54602:55580 646.18237:20304 651.53278:1541279 653.5545:30469 667.53284:22492 726.1933:18436 827.60938:20252 907.77869:55211 TG 56:7|TG 16:0_18:1_22:6 2442 22.09 922.78259 [M+NH4]+ 0.976 TRUE 14.2 922.78583 C59H100O6 TG YGOKCUTVSFRDFI-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 39.2 77.9 100 9273.15 7-08-18-2022-POS-Isaac-L04 922.78613:41491452 923.78948:43525064 924.79284:20962796 53.0026:52093 53.03887:76265 55.05447:564019 57.03371:33610 57.07007:1205462 65.03862:40577 67.0544:1176201 69.07001:1034727 71.04908:65827 71.08547:1018444 79.0544:603756 81.07004:1568184 83.049:27944 83.08561:1071069 85.06488:98736 85.10106:543488 91.05426:753794 93.06983:810962 95.04893:33089 95.0853:1730938 97.06475:113534 97.10124:704094 99.08067:41168 99.11668:40930 105.06966:397229 107.08527:467794 109.10129:1033977 111.08042:61699 111.11689:289578 113.09583:22441 115.05461:36496 116.06217:27555 117.07009:428425 119.08539:480689 121.06503:45605 121.1015:738778 123.08056:30109 123.11652:435195 125.09582:28602 125.13263:64511 127.11166:26138 129.06953:262519 131.08591:511233 133.10127:300491 135.08072:45798 135.11697:605276 137.09618:34227 137.1324:148023 139.11208:28631 139.14818:25760 141.07031:102868 142.07755:24763 143.08563:241511 145.10123:361312 147.08034:42869 147.11674:168968 147.29121:19917 149.09633:67288 149.13254:255272 151.14761:95417 153.12732:54507 154.28938:26191 155.08531:118347 157.10094:271801 159.11674:278901 161.09589:40119 161.132:204779 163.1122:27031 163.14806:116982 165.16356:77838 167.08498:34709 167.14296:29624 169.10184:167294 171.11671:271171 173.0961:26388 173.13287:239016 175.11227:37457 175.14825:94161 177.16389:45432 179.17967:26260 181.10185:145417 183.11748:135884 185.13333:137512 187.11235:54726 187.1483:97805 189.12753:52809 189.16383:47707 191.1797:28474 195.11758:78554 197.13342:96518 199.14836:146255 201.12704:49881 201.16399:187280 203.17911:36755 207.32552:36902 209.13181:111652 211.14804:109684 213.12849:29145 213.16341:152014 215.14368:27962 215.17914:116420 221.22736:27599 223.14931:154438 225.16318:83729 227.14217:48039 227.17883:196899 229.15858:39909 235.14856:21058 237.16284:62072 239.17931:43235 239.23676:245984 241.15924:56354 241.19543:22345 243.17415:36196 247.24277:122916 251.17899:46592 253.19547:20478 255.17503:25688 265.19574:40855 265.25342:350926 267.21008:44560 267.26871:21256 269.22675:103033 269.28308:24566 293.22583:412284 297.28107:22213 311.23575:405649 313.27332:303586 339.28778:240265 341.34753:19522 367.26248:25000 367.34183:20394 506.88248:21615 577.51562:4004180 621.49316:25457 623.50269:704772 649.52008:793039 905.75671:33718 TG 56:7|TG 16:0_18:2_22:5 2441 21.789 922.78186 [M+NH4]+ ion correlated with 2389; adduct linked to 2451_[M+Na]+ 0.976 TRUE 14.18 922.78583 C59H100O6 TG RUFOURHRNYZYIN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 27.5 90.9 100 7120.18 7-08-18-2022-POS-Isaac-L04 922.78668:90339336 923.79003:97296328 924.79339:34708140 53.00239:153472 53.03887:142159 55.01825:71041 55.05444:1196814 57.03371:138453 57.07004:1805942 60.46858:47005 65.0389:133507 67.05439:4398846 69.07:1953123 69.13163:46580 71.04908:107350 71.08545:1430254 75.15507:60564 79.05434:1682076 81.07002:5489002 83.049:124179 83.08559:1806974 85.06469:285903 85.10103:947273 87.60641:73777 91.05424:2488472 93.06981:2291064 95.04893:106449 95.08528:5111628 97.06479:371733 97.10121:989524 99.08065:255030 99.11668:65907 105.06967:1564145 107.08581:1350014 109.06458:70335 109.10129:2535350 111.08042:191040 111.11696:315255 113.09583:95283 117.0701:1067886 119.08537:2230549 121.10155:1670120 123.08056:96694 123.11652:1353788 123.99829:50221 125.09582:165800 125.13263:139721 127.11166:80817 129.06949:446034 131.08591:1647215 133.1012:1687125 135.07988:93831 135.11696:1332269 137.09618:108593 137.13235:541540 139.11208:143378 141.07016:71298 143.08554:498653 145.10127:1203309 147.11667:936772 149.09633:127794 149.13258:621456 151.11211:65138 151.14828:256907 153.12733:183688 155.08563:68875 157.10072:552443 159.11665:809066 161.09589:50000 161.13213:794244 163.1122:81962 163.14815:497141 165.12683:76676 165.16328:135672 167.14296:71741 169.10059:132149 171.11664:573598 173.13266:792265 175.11227:121402 175.1483:839365 177.1272:73981 177.16365:223373 179.14233:50065 181.10045:56441 183.11752:132346 185.13313:485261 187.14804:572265 189.12753:85030 189.16365:371967 191.17972:110865 193.15889:86428 195.95129:45814 197.13309:167810 199.1481:396428 201.1637:904936 203.14336:75334 203.17909:1245616 211.14818:146436 213.16344:391193 215.1792:461259 217.15826:69824 217.19606:65577 225.16321:118870 227.17892:152250 227.96211:51574 229.19583:141789 231.17357:63217 239.17931:92508 239.23668:298863 241.19543:105958 243.17415:68128 243.21078:82118 245.22691:246501 247.24271:85755 253.19547:88860 259.20679:91031 259.24265:117388 263.23599:495294 265.25391:211241 267.21011:87895 269.22614:747960 269.25223:49407 285.22156:56649 287.23593:629899 288.27634:45384 295.24173:475902 311.23593:93619 313.25287:981777 313.27371:593059 319.26355:109179 335.25864:73743 337.27429:1004630 339.28851:746897 369.2807:145511 377.83746:45844 385.27042:50716 439.21735:48026 533.47272:64193 573.48401:67258 575.50238:3740113 601.52039:3288470 603.5285:53972 623.50232:786634 625.52173:2603931 649.52039:1938114 905.75671:115905 TG 56:8|TG 16:0_18:2_22:6 2439 21.463 920.77008 [M+NH4]+ adduct linked to 2447_[M+Na]+ 0.976 TRUE 13.95 920.7702 C59H98O6 TG RDZINTYLBOTMAU-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 35.6 74.6 100 21012.18 35-08-18-2022-POS-Isaac-S11 920.76874:43700132 921.77209:54900380 922.77545:18756832 53.00253:33020 53.03875:56114 55.01796:26739 55.05456:267309 57.03363:36766 57.07018:655340 65.03881:36500 67.05428:1267935 69.06987:479605 71.04898:33775 71.08564:595379 79.05425:503150 81.06989:1380171 83.04925:40514 83.08547:518720 85.0646:52126 85.10127:342919 91.05408:487872 93.06965:603957 95.0488:29670 95.0856:1347931 97.06471:58910 97.10103:286609 99.08045:52017 99.11655:18541 105.07005:307588 107.08564:357643 109.06504:25015 109.10109:704368 111.08023:49603 111.11661:86171 113.09567:30395 115.05445:13975 117.06989:257337 119.08519:378540 121.06487:26524 121.10131:398822 123.08039:23556 123.11699:356301 125.09565:24576 125.13246:30410 127.11149:16318 128.06224:14059 129.07011:124351 131.08566:306273 133.10098:338915 135.08047:45566 135.11674:258078 137.09599:27391 137.1321:160886 139.11188:21357 141.07008:55471 143.0853:132114 145.10101:197081 147.07983:46343 147.11646:206615 149.09598:43171 149.13225:138650 151.14777:80568 153.12712:32566 154.56319:12400 155.08559:62308 157.10065:117832 159.11639:167035 161.09566:27854 161.13185:186396 163.11198:15067 163.14774:128614 165.1642:27137 167.08591:21688 169.10144:100210 171.11658:155182 173.13245:126624 175.11205:17507 175.14818:151656 177.16367:28832 179.14339:13645 181.10123:67568 183.11716:75359 185.13284:117586 187.11209:28843 187.14793:53273 189.12727:29758 189.16325:46219 195.11702:43635 197.1324:50095 199.11176:15113 199.14764:83252 201.12677:33672 201.16322:121522 203.14308:21835 203.17883:27254 207.7618:19014 209.13165:64348 211.14752:76982 213.16312:100987 215.14337:16753 215.17905:68720 219.21144:12309 221.22705:15448 223.14879:74891 225.16248:50480 227.14369:27819 227.17848:103077 229.15785:43300 231.17326:11803 237.16447:36238 237.22134:12476 239.17897:25653 239.23634:133473 241.15891:23523 245.22604:55533 251.17865:33820 253.19511:19540 263.23813:156001 265.19537:20216 265.25333:16457 267.20972:22590 269.2251:61145 269.92905:19248 283.20471:14729 283.2431:27698 291.21194:11667 293.22549:185047 309.22046:14757 311.23563:194349 313.27301:211337 319.26312:24701 337.27383:118791 339.28799:18495 342.26633:12496 367.28464:15536 575.50128:2442418 577.52222:18269 614.62183:11116 621.48401:21665 623.50165:363799 647.50708:381398 649.5191:19736 765.79028:14313 903.75415:12530 TG 56:8|TG 16:0_18:3_22:5 2438 21.21 920.76892 [M+NH4]+ adduct linked to 2448_[M+Na]+ 0.78 TRUE 13.94 920.7702 C59H98O6 TG ATVSXICFFJMTSM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 8.3 91.4 100 3758.66 7-08-18-2022-POS-Isaac-L04 920.7699:39167660 921.77325:23771020 922.77661:8373277 53.00239:22436 53.03887:36480 55.01803:27547 55.05448:269533 55.36579:11590 57.03371:28469 57.0701:230362 65.03862:26861 65.18443:11896 67.05442:1041496 69.07003:438056 71.04908:40324 71.08547:149320 75.15507:20828 79.05404:498089 81.07007:1184389 83.049:43711 83.08565:360665 85.06479:65191 85.10101:106665 85.31293:12735 87.60685:18989 91.05428:621112 93.06987:642325 95.04893:20237 95.08534:1165149 97.06482:114418 97.10125:250051 99.08015:64172 103.05421:15370 105.06971:434076 107.08531:408109 109.06458:20462 109.10134:567439 111.0804:54873 111.11699:66916 113.09583:34460 117.07016:298019 119.08545:546722 121.10086:511089 123.08056:33373 123.11659:271980 125.09601:60860 128.06242:19878 129.06963:127643 131.08517:412794 133.10129:480880 135.07988:23003 135.117:347563 137.09618:41865 137.1324:111851 139.11119:16684 139.83623:12149 141.07018:22345 143.08572:114051 145.10141:276665 147.11676:241487 149.09634:33147 149.13255:197718 151.11211:14381 151.14801:52010 153.12733:28257 155.08563:44462 157.10097:157773 159.11684:235432 161.09589:23063 161.13222:224303 163.11108:38877 163.1481:110126 165.16328:24989 169.1006:40593 171.11694:167484 173.13283:164648 175.11104:35879 175.14841:187514 177.1272:19631 177.16388:57729 179.14363:14594 183.11621:49191 185.13211:142597 187.11235:15258 187.14825:163542 189.12753:23604 189.1638:120130 191.1783:32628 193.15889:24909 197.1329:59752 199.14809:108065 201.12704:15686 201.16391:276903 203.14336:26143 203.17914:303982 205.15851:22887 205.19479:12476 211.14818:34435 213.16368:78118 215.14368:22748 215.17924:53210 222.56342:40196 225.16322:37682 227.17892:39233 239.17931:19139 239.23689:21805 241.19543:12276 243.2108:41199 243.68179:11593 245.22624:53589 247.24271:21774 257.18896:15824 259.20456:17863 259.24265:25991 261.22223:66803 263.23663:155002 265.25342:60677 267.21066:134529 269.22641:184966 271.24112:15245 271.52191:12477 285.22174:108085 287.23608:153231 289.25092:12429 295.24182:29121 313.25287:64655 313.27371:47711 317.246:17227 319.26355:27783 335.25815:62935 337.27438:451589 339.28876:184524 341.246:15661 387.25497:11651 391.28278:14893 519.18848:12057 547.47345:19744 549.46613:18959 573.48486:211555 597.48572:22818 599.50635:856584 601.52081:642542 617.51196:13947 621.48499:139521 623.50342:479078 625.52228:208061 647.50006:152952 691.23596:13586 763.89514:16283 903.74078:22872 TG 56:8|TG 18:1_18:2_20:5 2448 21.213 925.72388 [M+Na]+ adduct linked to 2438_[M+NH4]+ 0.976 TRUE 21.215 925.72284 null null XMEDLHXPFLTJAC-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 743.8 35-08-18-2022-POS-Isaac-S11 925.7229:1833380 926.72625:1948163 927.72961:578300 53.41067:2972 55.05436:5502 56.00434:3120 59.05116:2886 63.42356:2625 66.22382:3129 67.05434:22985 69.06989:8897 69.71687:2760 71.65921:3150 79.05427:7587 79.62825:2943 81.06997:25504 84.97629:3151 89.23936:3312 91.05411:10460 93.06968:7388 93.67314:3416 95.08528:23181 97.06515:4792 97.10109:5006 105.06953:7666 107.0857:6931 109.10116:6486 117.06998:5713 119.08523:7105 121.10138:8737 123.11709:6922 131.08577:3145 133.10107:6353 138.2205:2885 145.1011:3692 153.01025:3218 161.13194:3646 184.79143:3018 187.34319:3036 223.96533:3302 245.81912:3556 303.86218:7266 327.2301:5597 337.27408:10258 550.08136:3442 599.5036:15434 621.48358:25266 623.50177:4266 645.48584:41142 764.66559:4120 769.27191:3148 829.04248:3341 925.73187:124519 TG 56:9|TG 16:1_18:2_22:6 2434 20.731 918.75128 [M+NH4]+ 0.976 TRUE 13.81 918.75452 C59H96O6 TG NPWRXJYSKONMPV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 36.3 78.5 100 4387.98 7-08-18-2022-POS-Isaac-L04 918.75214:22823454 919.75549:22902904 920.75885:8026517 53.0026:27643 53.03887:37255 55.01803:28795 55.0544:368189 56.84849:17623 57.0337:41416 57.07002:145461 65.03862:40252 67.05435:1291324 69.06996:713528 71.04906:74339 71.0857:84335 79.05433:537652 81.06998:1565142 83.049:47976 83.08556:561074 85.06465:63723 85.10098:31904 91.05417:547946 93.06977:711107 95.04893:32580 95.08571:1257850 97.06468:114142 97.10114:337754 99.08066:56949 105.07017:329053 107.08576:480457 109.06519:17347 109.10123:618543 111.08034:97887 111.11679:102144 113.09647:33831 115.05461:15127 117.07:276834 119.08531:376587 121.10142:658537 123.08055:25349 123.11714:343459 125.09581:40628 125.13262:13851 127.11166:18835 128.06163:19768 129.07022:147652 131.08585:345552 133.10114:378115 135.08072:33941 135.1169:508636 137.09618:22859 137.13237:172656 139.11177:49716 141.07011:61786 141.12775:13494 143.08542:149754 145.1012:236201 147.11665:200193 149.09633:39425 149.13229:239585 151.11211:19283 151.14799:61519 153.12714:67471 154.84331:15796 155.08569:90774 157.10065:131120 159.08116:16572 159.11664:205574 161.09589:26150 161.13193:182468 163.14798:158027 165.16441:20602 167.08614:30941 167.14296:29117 169.10159:116279 171.11668:169591 173.13255:135826 175.11227:22263 175.14816:177744 177.16389:45239 179.14362:21358 181.10124:54150 183.11743:79922 184.07365:14814 185.13284:138859 187.11234:26168 187.14812:76885 189.12753:29900 189.16383:43622 193.15887:13961 195.11765:31671 197.13295:71731 199.11201:16938 199.14787:73506 201.12704:24560 201.16357:115557 203.17909:37863 208.20001:22197 209.13156:64936 211.14771:77416 213.16341:103905 215.14366:18584 215.17929:73412 217.15826:13779 219.21136:88314 222.56696:39321 223.14888:65258 225.16261:58684 227.144:17435 227.17886:100559 229.15857:32716 237.16479:32642 237.22127:175844 239.17929:23215 241.15924:29116 241.19543:12826 243.21078:15509 245.22621:66660 251.17899:25294 263.23807:165139 265.19574:30004 267.21243:33094 269.2261:62601 270.57809:18192 283.24347:24318 293.22592:239149 311.23593:196399 311.25952:188171 319.26355:34029 337.2739:176239 339.28842:32203 365.27197:14640 367.26245:23166 414.58557:13901 573.49103:2378025 597.48566:18445 599.50555:31129 621.48511:469768 623.50238:16257 647.50751:471461 901.73157:12953 TG 56:9|TG 18:2_18:3_20:4 2435 20.556 918.75159 [M+NH4]+ adduct linked to 2444_[M+Na]+ 0.976 TRUE 13.81 918.75452 C59H96O6 TG JKQWGXQHSNHJJE-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 13.8 92.3 100 3039.22 20-08-18-2022-POS-Isaac-L16 918.75128:16167494 919.75463:17779216 920.75799:6343747 53.00256:6703 53.03883:9628 55.01799:7518 55.05457:75106 57.03366:6105 57.07019:36595 59.31244:3885 61.97262:3984 65.03857:10694 67.05428:284520 69.06988:123003 71.04934:7363 71.08568:13609 75.15921:5749 76.6191:6367 77.03843:4022 79.05426:171343 81.06991:330061 83.04894:13324 83.08546:89916 85.06463:22364 85.10134:9763 87.61162:6642 91.05408:162037 93.06968:208446 95.04936:7107 95.08563:282426 97.06466:30988 97.10109:51343 99.0806:10898 102.12764:7962 105.07011:100902 107.08566:135829 109.1011:142819 111.0803:20087 111.11667:19050 113.09574:4426 115.05452:5050 117.0699:83193 119.08519:122709 121.10134:160751 123.08046:11666 123.11703:68437 125.09572:14509 128.06232:4616 129.07019:34995 131.08572:131753 133.10103:125630 135.08063:8908 135.11679:113653 137.13219:27572 139.11195:6612 141.07005:9283 141.12764:4789 143.08546:34402 145.10109:77845 147.08022:6876 147.11658:72297 149.09622:12227 149.13231:54081 151.14789:13944 153.12721:5342 155.08551:9077 157.10071:43317 159.11642:66097 161.09576:10442 161.13297:50140 163.11208:5583 163.14769:48897 165.12669:4444 165.16315:6447 167.14284:5911 169.10165:20996 171.11674:37016 173.13245:59972 175.11215:5348 175.14796:42609 177.16377:16235 181.10162:4123 182.33775:3768 183.11739:15955 184.07333:18338 185.13289:37555 187.11082:5213 187.14787:41357 189.16359:22906 191.17957:4218 193.15874:6413 195.11603:5000 197.13293:18702 199.14787:28940 201.12689:4247 201.1635:95064 203.1432:7868 203.17883:41586 209.13345:3763 211.14801:15428 213.16341:11400 215.14349:6254 215.17908:6286 217.19417:4376 217.33685:3606 222.96301:9488 225.16486:12689 227.17874:8718 229.1584:4088 237.2215:4435 239.17911:5810 241.19525:9427 243.21043:23531 245.22649:11762 247.24251:6795 247.61649:3712 257.22641:6007 259.2066:6207 261.22021:27686 263.23792:28926 265.19553:9047 265.2529:18606 267.20975:48840 269.22543:22586 269.50122:3753 283.2049:8587 285.22113:49765 287.2359:16659 311.25632:7342 317.24878:9155 319.26331:5433 335.25824:39202 337.2738:116616 339.28778:48311 341.24911:4837 422.16434:3872 451.16074:3819 566.36279:4060 573.48413:44268 597.48572:86596 599.50513:327413 601.51947:12390 619.46826:37344 621.48456:85997 623.50238:76712 647.49823:9855 901.7309:6283 TG 57:7|TG 17:0_18:1_22:6 2469 22.418 936.79901 [M+NH4]+ 0.512 TRUE 22.461 936.79669 null null KNLOBBXZCRLSRS-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.4 95.1 null null null 220.68 6-08-18-2022-POS-Isaac-L03 936.79889:681868 937.80224:804064 938.8056:430441 55.05443:9583 57.07013:19150 58.53989:3527 58.73198:2950 64.2737:3104 65.28967:2950 67.05443:14189 69.06998:16083 71.08544:13115 77.47597:2869 79.05399:4870 81.06977:22730 83.08557:18725 85.02689:3367 85.10101:8705 91.05437:13884 93.0698:13147 95.08539:30726 97.10122:10323 101.53148:3061 105.06967:4958 105.87088:2938 107.08524:6444 108.20271:2744 109.1013:12226 111.1169:5457 116.06959:3014 117.07014:5813 119.08539:7975 121.10082:12125 123.11651:8817 129.06955:4507 131.08514:9604 133.10126:5996 135.117:5721 143.08562:5331 145.1013:7191 149.13254:5003 151.43874:2946 159.11674:4246 163.14693:3144 171.11571:3647 177.70316:3300 223.14743:5164 227.18082:4643 234.90106:3217 253.25175:3813 265.25146:4096 285.65652:3209 303.86542:12699 311.23602:9635 327.28775:7085 410.75623:3188 446.15186:3515 493.31653:3356 547.5011:3414 591.53461:74727 637.51562:9226 649.52014:9873 764.41693:4772 TG 57:8|TG 17:0_18:2_22:6 2465 21.79 934.78613 [M+NH4]+ 0.756 TRUE 14.11 934.78583 C60H100O6 TG FDVHBEJGJWEPMP-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 42 75.9 100 410.01 8-08-18-2022-POS-Isaac-L05 934.78595:2775300 935.7893:2316468 936.79266:1119031 52.07175:3192 55.05447:13918 57.07006:39796 64.50751:3482 67.05438:63550 69.07:23144 70.15933:3416 71.0855:32702 71.25431:2968 73.3429:3619 77.36257:2739 79.05444:27066 81.07004:81916 83.04942:3733 83.08567:27902 83.57031:3125 85.10103:16154 87.60555:4500 91.05433:21675 93.06987:29050 95.08578:72466 97.06475:5156 97.10121:22054 105.06976:21577 107.08528:17713 107.55133:4621 108.99799:4345 109.10133:42674 111.1169:5047 117.07008:16004 119.08546:22137 121.1014:21896 123.11658:26108 129.07033:9354 131.08611:17909 133.10126:19297 135.11699:13491 137.1324:7285 143.08562:11649 144.97659:3449 145.10129:11527 147.11674:12990 149.13252:6792 150.88106:3536 151.14804:4871 155.08566:3646 157.10088:11366 159.11674:10617 161.13214:13832 163.14803:4237 169.10181:5856 171.1169:9946 173.13281:7735 175.14841:10484 181.10049:3855 183.11757:3899 185.13329:6466 187.14812:4409 191.17693:3456 201.16383:9045 203.17915:3771 211.14822:4646 213.16362:8750 215.17929:4204 219.51698:15316 219.52921:4404 223.1492:4364 225.16325:4120 227.1808:4450 247.72762:3339 253.25175:8719 263.23621:9294 283.24353:4022 293.22635:15830 303.86539:5777 311.23538:15320 319.26361:4432 327.29089:15905 337.27451:11511 589.51611:176173 637.51569:33184 647.49945:31627 TG 57:8|TG 18:1_18:2_21:5 2464 21.465 934.78229 [M+NH4]+ 0.854 TRUE 14.11 934.78583 C60H100O6 TG QTOOMPLSKKKIPS-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 39.5 87 100 308.98 14-08-18-2022-POS-Isaac-L10 934.78522:1418667 935.78857:1782941 936.79193:640075 55.05441:9038 57.07025:4920 67.05428:26096 69.06996:11334 71.08541:3307 75.95496:3084 79.05434:11175 80.94788:5577 81.06992:28203 81.32528:2890 83.08557:12700 91.05419:13660 92.95805:3615 93.06977:13288 95.08571:24950 97.10118:9461 105.06963:6457 106.02422:2914 107.08571:13928 109.10126:11692 117.07009:4592 118.52577:3044 118.53269:3722 119.08534:6472 121.10138:13989 123.1172:7281 124.52247:2874 129.0703:2936 131.08591:7126 133.1012:6472 135.11694:13476 137.13235:4141 143.08466:3099 145.10126:8391 147.11671:7327 149.13248:4800 159.1167:6360 161.13319:3563 171.11684:3866 173.13277:3340 185.83702:2970 187.14806:4370 189.16382:3374 193.52252:3018 199.14821:3882 201.16377:4625 209.43588:3570 209.58566:3054 215.17921:5914 224.02492:5944 224.04112:2958 224.06451:4541 281.22766:6516 299.2359:5833 335.93845:3395 339.28842:6893 532.07977:3680 587.49939:3815 601.51904:33676 635.50586:13525 637.51514:18539 TG 57:9|TG 17:1_18:2_22:6 2460 21.096 932.76721 [M+NH4]+ ion correlated with 2409 0.683 TRUE 13.9 932.7702 C60H98O6 TG YMCXEKNTGFLPOF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 39.7 78.9 100 378.7 5-08-18-2022-POS-Isaac-L02 932.76801:687280 933.77136:776727 934.77472:257365 50.9744:2716 53.48268:2659 55.05444:8407 57.07004:5652 59.04272:3176 67.05439:39297 69.07002:24142 71.08544:3058 71.82534:2778 73.31831:2922 76.70206:3318 77.74574:3144 77.95443:2748 79.05428:16161 79.30248:2877 80.94791:8300 81.06998:38155 83.08564:18149 85.10101:3664 91.0542:17279 93.06972:23343 94.49281:3641 95.0853:45524 97.10122:10611 102.12776:8129 103.19084:3103 105.06968:10534 107.08513:16211 108.90399:3931 109.10122:21772 111.11691:6255 117.06947:4058 119.0854:11647 121.08724:3054 121.10132:17697 123.11653:10970 129.07034:3625 131.08595:8295 133.10126:11815 135.11687:14121 137.13242:4837 143.08563:4840 145.1013:4883 147.08038:3819 147.11678:8562 149.13255:5641 151.14806:3559 159.11678:7779 161.13216:5984 163.14806:4942 171.11691:5548 173.13161:4178 175.14844:5426 195.11771:3832 201.16386:5344 201.22821:3445 219.69025:17798 251.23679:7098 260.13681:3265 263.23627:3856 264.83224:2810 275.84808:3218 293.2262:6570 296.35065:3177 303.87683:9315 311.23605:8226 325.27567:5900 351.56143:3338 373.7861:3441 587.50024:82398 635.50592:15921 647.49847:22047 765.68927:3493 776.94635:3751 TG 57:9|TG 18:1_18:3_21:5 2459 20.808 932.76715 [M+NH4]+ similar chromatogram in higher mz_2509 0.537 TRUE 13.9 932.7702 C60H98O6 TG LCWSHKWIJPIPTG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 29.9 83.8 100 290.01 21-08-18-2022-POS-Isaac-L17 932.76758:1164454 933.77093:1371662 934.77429:532554 52.57761:3257 55.05439:4166 59.06045:6851 59.4537:3437 61.766:2600 63.83582:2716 67.05436:18702 69.06993:11805 72.64487:3316 79.05393:10058 79.26186:2776 80.94784:5027 81.0698:22161 83.08553:8808 91.05415:10721 91.23772:3449 93.06986:17191 95.08528:16291 97.10114:3453 105.06958:10584 107.08516:8961 109.10121:11340 111.11681:3420 116.45238:3358 117.06936:5361 118.47655:2897 119.08529:7170 119.86058:3107 121.10073:11847 123.11641:4530 131.08504:7633 133.10114:5655 133.35704:2835 135.1169:9442 143.08549:3285 145.10118:6037 147.11664:3739 149.13144:4202 159.11662:4617 161.13202:6675 173.13268:3921 183.3038:3251 201.1637:6761 241.00037:2773 265.25125:3925 273.31747:3034 292.26605:3345 297.91476:2736 303.86234:6981 325.92822:3074 335.25845:4177 339.28824:3236 343.91086:3232 347.5444:3185 468.08902:3339 599.50757:25336 633.49042:7642 635.49799:7331 637.51508:9359 851.48975:3481 TG 58:10|TG 16:0_20:4_22:6 2478 21.168 944.76782 [M+NH4]+ 0.902 TRUE 13.9 944.7702 C61H98O6 TG HCEQQESIFLFUPF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 30.1 85.1 100 1856.4 26-08-18-2022-POS-Isaac-S03 944.76782:526050 945.77117:641445 946.77453:380150 52.32111:2933 53.67633:3090 55.05461:5496 57.07022:25982 57.1038:2928 57.43532:2798 67.05435:22505 69.06994:9823 71.08573:17216 73.75458:3152 76.48358:3596 76.90071:2890 78.16985:3316 79.0543:20743 81.06991:28538 83.08554:7212 85.10137:12084 87.3144:3144 91.05412:35254 93.06977:16637 95.08565:19616 97.06469:4918 97.10115:8043 98.82911:2919 102.12768:8292 105.07016:19220 107.08577:10855 109.09756:3112 109.101:15850 117.07006:12488 119.08534:25146 121.10146:9406 123.11716:8569 129.07025:6715 131.08566:17512 133.10097:20826 135.11691:5626 141.7372:3111 143.08553:8861 145.1012:9703 145.27869:2802 147.11761:8391 148.58057:3384 157.04582:3515 157.10184:7103 159.11665:6515 159.72714:3134 161.13203:8792 170.53192:3129 171.11678:9586 173.13271:3524 175.14828:6574 180.19586:3268 183.11746:3442 185.13182:4874 190.86218:3148 199.14815:4394 201.16373:4102 203.17874:22718 222.57935:8098 222.59183:5676 231.09615:3021 239.23679:3307 269.22604:8345 287.23859:6857 293.22595:4169 313.27353:31705 315.05209:3052 378.70615:3219 385.27432:3968 599.50562:34180 623.50128:26834 671.50391:10029 744.15765:3768 TG 58:10|TG 18:2_18:2_22:6 2479 20.779 944.76831 [M+NH4]+ adduct linked to 2488_[M+Na]+; similar chromatogram in higher mz_2532; similar chromatogram in higher mz_2540 0.976 TRUE 13.88 944.7702 C61H98O6 TG YNVHIDISXOPRLL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 39.2 82.3 100 10733.33 15-08-18-2022-POS-Isaac-L11 944.76807:81957760 945.77142:93229304 946.77478:33399244 53.00257:99415 53.03875:219754 55.018:67712 55.05438:982571 57.03368:129100 57.06999:322387 65.03856:162381 67.05431:5514254 69.06992:1569576 71.049:149258 71.0854:199467 77.03917:43033 79.05426:2041422 81.06992:6078484 83.04893:167649 83.08549:1121456 85.06475:217581 85.10094:82199 91.05408:1943470 93.06968:2643365 95.04938:85518 95.08564:4701638 97.06464:386183 97.10108:670834 99.08054:211396 105.07007:1389890 107.08567:1532124 109.06513:88714 109.10113:2471147 111.0804:216961 111.11681:132483 111.65952:38935 113.09577:107068 115.05455:60842 117.06998:709886 119.08522:1526642 121.10134:1741140 123.08049:109524 123.11704:1485766 125.09575:115530 127.11159:91236 128.06235:57925 129.06937:508160 130.07739:38699 131.08569:1100362 133.10101:1415169 135.08064:97662 135.11676:1063793 137.0961:80908 137.13216:466229 139.11198:71599 141.06998:197581 142.07747:52422 143.08545:421026 145.101:780554 147.08025:102169 147.1165:817079 149.09625:104728 149.13226:659956 151.11201:80459 151.1479:242859 151.37363:42930 151.37961:57741 153.12724:111924 155.08527:174297 157.10066:462128 159.11649:663605 161.13184:1055474 163.11212:82319 163.1478:571683 165.16319:63724 167.08488:110372 167.14287:69327 169.10155:323488 171.11661:469598 173.09599:58015 173.13237:416663 175.11218:126495 175.14806:689844 177.16319:152449 179.14224:41142 181.10158:201707 181.15924:43623 183.11711:283036 185.13278:412970 187.11224:97508 187.14749:215843 189.12744:137402 189.16335:280277 191.14413:50437 193.15878:85488 195.11754:136798 197.13281:198700 199.11192:73739 199.14801:298853 201.12694:93957 201.16333:400007 202.79391:49624 202.80322:66307 203.1785:155697 207.17487:69123 209.13177:154850 211.14783:303458 213.16302:301881 215.14355:77625 215.17886:254929 217.19594:44960 223.14688:312080 225.16251:152434 227.14388:51321 227.17838:421139 229.15846:78877 235.16972:42952 237.16483:155428 239.17917:121776 241.1591:108692 241.1953:57677 243.17606:53377 243.21066:40431 245.22603:453566 251.17885:123332 253.19316:50569 255.1749:52344 261.22101:83685 262.6044:55107 263.23795:1026237 265.19559:64220 267.20996:77427 269.22614:201524 283.24078:79597 291.2095:44331 293.22571:571966 309.22073:99142 311.23563:720162 319.26297:202639 335.25845:47695 337.27374:1082645 367.26227:65446 573.46893:52079 599.50458:7741796 601.51959:88572 647.5069:3039242 927.74664:50757 TG 58:11|TG 16:0_20:5_22:6 2475 20.589 942.75299 [M+NH4]+ adduct linked to 2485_[M+Na]+ 0.829 TRUE 13.79 942.75452 C61H96O6 TG UZFNMPJCAIVEGV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 30 82.8 100 582.07 4-08-18-2022-POS-Isaac-L01 942.75305:1643972 943.7564:2096019 944.75976:1245072 55.05444:4992 57.07006:14559 58.41604:3266 67.05433:21557 67.16063:2760 67.20083:2715 69.06969:5132 71.08547:13808 72.1529:3062 79.05401:13218 79.37571:3497 81.07004:18766 83.08562:8841 83.73173:2860 85.10103:6724 88.14016:3423 91.05418:24746 93.06996:18978 95.08522:24881 97.10124:4846 102.12775:18913 105.06953:18667 107.08527:8179 108.35273:3096 109.10133:13891 117.07015:16422 119.08539:14330 121.10085:11684 123.11728:5950 129.06958:9850 131.08592:24042 133.10127:10147 135.07996:3016 135.11703:7340 137.09624:3122 143.08566:7306 145.10138:14958 147.11681:7596 149.13258:3795 155.08571:4637 157.10092:12646 159.11681:10471 161.09596:3646 161.13219:5399 166.03273:2952 169.10185:5430 171.11694:8083 173.13287:7262 185.132:5105 187.14816:6489 196.65416:4034 197.13318:5343 199.14833:6935 201.16389:19724 213.1637:4373 223.82181:2920 223.85596:5403 225.16333:3866 226.84671:3166 239.23701:4151 244.82945:3223 249.14653:2950 267.21024:7663 285.22168:5547 293.22623:4769 311.23608:6515 313.27405:31302 385.27063:4016 417.93652:3043 442.6669:3003 532.6142:3359 597.48669:35208 623.5022:35125 669.48218:8351 722.95917:3765 758.39478:3320 TG 58:11|TG 18:2_18:3_22:6 2474 20.156 942.75232 [M+NH4]+ adduct linked to 2484_[M+Na]+ 0.683 TRUE 13.75 942.75452 C61H96O6 TG CCWQXSQVMPACON-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 33.3 79.7 100 2552.76 17-08-18-2022-POS-Isaac-L13 942.75201:10092136 943.75536:11857669 944.75872:4080095 53.00256:18239 53.03881:46298 53.55324:6476 55.01821:16094 55.05457:134272 57.03364:28556 57.07017:44118 65.03876:31169 67.05429:738963 69.03357:11646 69.0699:212061 71.04924:26749 71.0857:27829 77.03879:8153 79.05426:431670 81.03351:11226 81.06991:839878 83.04933:37583 83.08549:144708 85.06459:25658 85.10134:11122 91.05408:379517 93.06967:556954 95.04941:25355 95.08562:688095 97.06465:49091 97.10106:95706 99.08056:29722 105.07006:241797 107.04945:11905 107.08563:350154 109.06511:15915 109.10109:364243 111.08033:34054 111.11679:15684 113.09639:13059 115.05453:8618 117.06991:162731 119.08588:282880 121.10133:372669 123.08047:22217 123.11703:174953 125.09648:15216 128.06232:11024 129.07011:86519 130.07736:7995 131.08568:238613 133.10098:243897 135.08063:17136 135.11671:244843 137.09607:16544 137.13226:41234 139.11195:10114 141.07004:36559 143.08533:78963 144.09314:7520 145.10098:167987 147.08022:18010 147.1165:163077 149.09622:18057 149.13228:127529 151.1479:18056 153.12721:13953 155.0853:32134 157.10155:80480 159.07997:11078 159.11644:138066 161.09686:12177 161.1329:150909 163.11208:10240 163.14775:78007 165.12784:6268 167.08601:17439 167.14284:7719 169.10147:48247 171.11659:86210 173.13249:101857 175.11215:11788 175.14803:95425 177.16377:21998 181.10146:26761 183.11702:48914 185.13289:63373 187.11221:15477 187.14789:54654 189.1274:18637 189.16341:24841 193.15874:7412 195.11749:20922 197.13287:37637 199.11188:8769 199.14777:43808 201.12691:14913 201.16344:73611 203.18051:20451 203.20073:9168 207.1172:9518 209.13313:40753 211.14754:46011 213.12834:7608 213.16307:47962 215.14351:11780 215.17857:38713 221.13184:11539 221.15479:6875 223.14874:33611 224.15623:8418 225.16425:26831 227.14383:12307 227.18028:45549 229.15842:10741 229.19566:7833 237.16463:21219 239.17912:13383 241.15906:17052 241.19525:8870 243.21025:23032 245.22591:34007 251.1788:14985 254.00822:8235 261.22052:83617 263.19241:7670 263.23785:84299 265.19553:9796 267.21182:24323 269.22833:18455 275.19968:7702 283.24326:16472 293.22537:87877 309.22067:11629 311.23831:82668 317.24783:27651 319.26331:13045 335.25723:63333 337.27365:78365 367.26221:11403 595.47552:7352 597.48474:1031057 599.50519:17446 623.50195:7475 645.48627:199952 647.50604:243103 925.73224:6746 TG 58:11|TG 18:2_20:4_20:5 2484 20.161 947.70868 [M+Na]+ adduct linked to 2474_[M+NH4]+ 0.707 TRUE 13.76 947.7099 C61H96O6 TG UGZBFOQDGPJMST-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 52.2 73.2 100 556.44 8-08-18-2022-POS-Isaac-L05 947.70953:1866106 948.71288:2246404 949.71624:801914 51.4279:3390 55.05443:9676 67.05438:28207 68.8913:3736 69.06998:8550 79.05407:21250 81.06964:27367 83.08519:6911 85.6515:3122 90.54565:2963 91.05426:28635 93.06986:22139 95.08533:20112 97.1007:3821 101.94571:3251 102.12774:5464 105.06966:10798 107.08524:12416 109.1013:9231 112.44338:3312 117.07013:6446 119.08533:14991 121.10084:16615 123.11651:5809 131.08513:9162 133.10124:9501 135.11615:4758 144.26985:3173 145.1013:2820 147.11676:5511 157.10193:3765 159.11674:3975 161.13214:4900 220.53311:3038 299.70892:3740 303.86542:13162 307.97836:3617 325.21579:4343 337.27451:10826 351.22903:5498 484.50226:3513 597.48584:5839 611.46149:3689 619.46838:19890 643.46301:17159 645.48956:19619 667.46814:20740 669.48193:9926 765.64368:3615 947.70734:157180 TG 58:12|TG 18:2_18:4_22:6 2471 19.59 940.73895 [M+NH4]+ adduct linked to 2481_[M+Na]+ 0.976 TRUE 13.65 940.73889 C61H94O6 TG UYCDWUDKTDWXHB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 14.8 87 100 371.39 20-08-18-2022-POS-Isaac-L16 940.73907:1910592 941.74242:1884320 942.74578:636901 51.55201:3069 53.03883:7765 55.05438:17204 57.06999:6018 59.1634:3068 63.51424:3908 65.03858:6566 67.05432:97320 69.06997:25559 69.11863:3307 76.61911:5785 79.0543:58825 81.06995:113586 83.04935:5876 83.08551:20520 83.38436:2960 85.0647:7952 87.6112:5652 91.05408:87081 93.0697:74675 95.08567:82586 97.06467:13737 97.10113:8987 99.08061:3334 105.06954:54622 107.0851:38942 109.10126:36280 111.08034:7421 117.06997:50094 119.08532:68372 121.10144:42518 121.12933:3095 123.08048:4968 123.11626:18619 125.09649:4271 129.06947:19577 131.08578:64573 133.10114:50243 135.08063:6600 135.11687:23367 141.07007:10647 143.08574:15548 145.10115:42936 147.11644:33012 149.09624:6517 149.1324:13068 151.1479:4369 153.07028:3381 155.08553:4726 157.10071:17978 159.11668:29874 161.13193:39557 163.14789:9089 169.10167:7258 171.11642:18764 173.13277:21096 175.14806:17702 181.10034:5150 183.11609:11422 185.13184:15278 187.14777:15880 189.16373:5346 197.13297:7799 199.1481:10746 201.16376:39267 209.13187:5304 211.14804:6133 213.16344:4296 216.45383:3032 222.36198:11869 225.16307:5024 233.13101:3837 239.17914:5085 241.19528:7787 245.22652:4046 256.53912:3433 259.20663:5175 263.23599:7661 267.20987:18088 285.22137:10035 293.22589:4983 311.23572:5749 320.34705:3296 335.25842:3961 337.27402:58000 341.24576:3691 359.25742:8428 364.06424:3308 470.65997:3451 497.04248:3638 595.46912:46624 615.44922:3566 619.46838:4085 621.48517:73485 643.4668:19189 647.49854:23947 665.5838:3535 729.63019:3758 TG 58:12|TG 18:2_20:5_20:5 2481 19.588 945.69226 [M+Na]+ adduct linked to 2471_[M+NH4]+ 0.61 TRUE 13.66 945.69427 C61H94O6 TG KWBRZKSTAHAQSV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 49 68.5 100 112.92 37-08-18-2022-POS-Isaac-S13 945.69495:640199 946.6983:788086 947.70166:272427 55.05435:3621 67.05427:8406 72.06304:2829 74.80086:2749 79.05425:4985 80.02717:2517 81.0699:7503 81.28033:3062 81.71079:3442 93.06966:6464 95.08563:8355 99.13192:2671 102.12814:4234 105.07008:5504 111.38507:2891 119.0859:6830 131.08574:3598 139.42685:3170 153.7812:2790 165.4026:2933 204.45181:2825 224.31473:6505 224.32555:4464 307.68219:3566 337.27402:3344 643.46613:12684 665.44513:4160 814.66296:3261 945.69073:32235 TG 58:3|TG 22:0_18:1_18:2 2500 24.899 958.87885 [M+NH4]+ 0.463 TRUE 15.56 958.8797 C61H112O6 TG AMDSHUSILZVWMX-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 68.5 90.2 100 387.5 16-08-18-2022-POS-Isaac-L12 958.87915:1329319 959.8825:909269 960.88586:369002 55.0544:13853 57.07001:26723 62.19401:2890 67.05439:36444 69.07006:21142 71.08537:22130 79.05432:8560 81.06996:49543 81.52088:3170 83.08564:22409 85.10088:14129 86.97814:3263 93.06974:12060 95.08573:45681 97.10124:18870 98.72477:3273 102.12768:10595 107.08577:8798 109.10121:34277 111.08037:3494 111.11683:9379 119.66432:3048 121.10133:14992 123.11696:18691 133.10117:7306 135.11707:16042 137.13232:6261 149.13245:9313 150.48778:2962 161.13313:5845 187.55133:2959 220.95232:16095 233.84351:3409 263.23605:9322 265.2536:6788 276.37985:3507 601.51978:84332 659.59753:75676 661.61133:77722 687.63055:3713 695.06592:4058 711.24896:3405 759.35913:3698 TG 58:4|TG 18:1_22:1_18:2 2497 23.99 956.86188 [M+NH4]+ 0.561 TRUE 15.19 956.86407 C61H110O6 TG COGBIGLYXFERSM-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 48.5 92.2 100 909.25 19-08-18-2022-POS-Isaac-L15 956.86206:8942193 957.86541:9487889 958.86877:3324877 55.05436:68917 57.03367:9023 57.06998:81754 58.82724:3437 65.03886:6912 67.0543:220397 69.06992:164455 71.04903:5246 71.08535:60882 75.16027:5316 79.05428:47788 79.199:4589 81.06994:283826 83.08551:157530 85.06469:9592 85.10092:27949 87.61295:7280 91.05403:23973 93.06972:79925 93.19419:3368 95.08567:269917 97.06466:13415 97.1011:121589 99.0806:14360 99.64524:3409 105.03489:5418 105.06993:18454 107.08567:53349 109.00888:4593 109.10119:154625 111.08034:12820 111.11675:56364 113.09639:6884 119.08514:16121 121.10138:106374 123.11634:75038 125.09573:7564 125.13254:12298 127.11157:7659 133.10123:29769 135.11681:77052 137.13219:40695 139.11197:5449 141.12766:10558 147.11642:18107 149.13235:45026 151.14781:16750 153.12721:8091 161.13181:20670 163.14781:26674 165.16431:13837 175.14804:16968 177.16377:12240 179.17955:7557 189.16371:6121 191.17958:7892 203.17897:4580 205.19466:4224 207.17484:4109 222.94514:6569 222.95589:7968 228.05991:3681 232.41801:3630 245.22638:17515 247.24252:12872 250.88205:3920 261.21872:4074 263.23599:41199 265.25354:26248 275.27322:4210 293.2825:9546 303.30292:4198 319.26334:6606 319.30008:4839 321.31561:26690 322.60257:3695 337.2742:10721 339.28799:17322 389.12683:3784 395.35248:10860 470.40244:4136 513.5509:3885 566.45691:4236 573.48358:14457 575.50385:26426 577.51514:8225 583.54425:5464 599.50519:5447 601.51959:276997 603.53748:51409 605.54675:6340 627.5329:4563 629.54681:126436 631.5686:23833 655.56873:25034 657.58258:263357 659.59668:306605 683.59204:31652 685.61188:9883 703.48285:4452 743.67822:4352 939.84692:7452 TG 58:5|TG 18:0_18:1_22:4 2496 23.537 954.84821 [M+NH4]+ 0.439 TRUE 14.98 954.84839 C61H108O6 TG XXQLXVNLMLDWDQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 23.5 89.6 100 921.09 14-08-18-2022-POS-Isaac-L10 954.84814:3104425 955.85149:3015452 956.85485:1071506 54.55978:2770 55.05441:12712 57.06999:35148 63.8531:2871 67.05436:35402 69.06997:26494 71.08534:20736 72.63194:3763 75.16241:3015 76.29116:3498 79.05441:18416 81.07:49088 83.08546:28417 85.06474:3557 85.10099:16070 87.54173:3261 91.05426:19575 93.06979:29577 93.60853:3662 95.08521:56185 96.55188:3884 97.06472:3169 97.10118:13612 103.87844:3911 105.06963:13071 107.08507:18993 109.10119:35985 111.11686:3237 117.07009:5780 119.08534:9926 121.10149:23920 123.11643:15463 125.13186:3455 129.43478:3419 131.08589:5361 133.1012:10052 135.117:20209 137.13148:4276 139.11205:3360 145.10124:10079 147.11671:10401 149.13248:7584 152.03265:3131 159.11668:3896 163.14796:5262 173.13275:7145 175.14835:7248 177.16388:3244 191.14423:3454 203.17908:6319 215.17921:4144 217.19431:5336 265.25366:7546 276.82193:3169 303.86246:8806 315.26849:11590 317.28235:4816 326.00732:3247 339.28839:6201 341.30685:4992 343.29898:5613 371.01999:3466 577.5155:12394 603.53638:10420 605.54718:26183 625.51886:15244 627.53326:6144 629.54645:9331 631.57135:20879 650.64984:4434 653.54602:22227 655.56824:33653 657.58575:15076 659.59662:4581 681.5827:11262 765.26825:5737 916.54865:3687 TG 58:5|TG 18:1_18:2_22:2 2495 23.274 954.84741 [M+NH4]+ 0.732 TRUE 14.94 954.84839 C61H108O6 TG HKWZCLIYKDDAIR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 44 90.9 100 520.82 21-08-18-2022-POS-Isaac-L17 954.84729:4523756 955.85064:4918356 956.854:1837405 51.02322:3730 51.5248:2964 53.00257:4382 53.03883:5861 55.05443:48875 57.07008:33597 57.39234:3323 61.89884:3614 64.27115:3578 64.33869:3215 67.00983:5001 67.0544:143606 69.07:85321 69.21343:3381 71.04903:5801 71.08546:20266 75.15992:6355 79.05404:33490 79.63247:3010 81.06967:198164 83.04895:6238 83.08561:73448 85.0647:8322 85.10093:11627 87.61296:8966 91.05429:17379 93.06985:57169 95.08531:198383 97.06467:9948 97.10121:55036 99.08008:7940 105.06969:18729 107.08521:42596 109.10132:113897 111.08035:8813 111.11687:18270 113.09576:8492 119.08528:14925 121.1009:64168 123.11653:63376 125.09574:6485 127.11158:4295 131.08583:7169 133.10114:27694 135.117:50493 137.13242:29451 139.11198:4795 141.12766:4709 145.10117:4295 147.11662:14954 149.1324:33136 151.14822:15704 153.12723:4870 161.132:14743 163.14774:15812 165.16432:5305 175.14825:9651 177.16379:8214 189.16373:5665 190.50595:3365 193.15875:3928 194.14243:3310 217.1942:3850 224.23915:3614 238.73499:3219 245.22653:14461 247.24254:4808 255.72276:3329 261.22098:5812 263.23615:23897 265.25165:17829 291.26816:7308 293.28522:6053 303.89075:12846 311.06485:3726 317.28522:4403 319.26334:7392 319.30011:12832 337.27423:13730 339.28824:10514 375.32275:5130 393.3389:4849 399.50336:3556 532.73895:3659 573.48364:8588 599.50562:34992 601.52026:126264 603.53607:8157 606.55591:8069 607.55145:8189 627.53442:57079 629.54736:89553 655.56946:128652 657.58337:216710 752.90796:3765 937.82416:5359 944.59772:3390 TG 58:6|TG 18:2_20:2_20:2 2499 22.944 957.78503 [M+Na]+ ion correlated with 2077 0.488 TRUE 22.964 957.78314 null null XMLZNVLFMPANs-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 99.1 99.9 null null null 528.88 6-08-18-2022-POS-Isaac-L03 957.78497:1005146 958.78832:662170 959.79168:240668 51.37528:2880 52.79773:2690 55.05443:3854 55.06847:2754 57.07004:10353 58.61786:3051 60.46481:2549 67.05442:16990 69.06968:9403 71.08544:9516 81.0701:16186 83.08519:5741 89.19243:3169 91.05423:4594 93.0698:6198 95.0853:16029 97.10122:5264 98.7438:3263 107.08524:4183 109.10069:4585 119.08609:2894 121.10082:5612 123.11651:4233 133.10126:4105 195.3344:3516 222.49219:5067 222.50465:7113 222.58842:3851 226.37604:3530 242.84885:3293 247.59164:3232 281.40253:3465 283.05685:3028 293.99585:3805 335.33783:3280 440.86749:3395 557.76587:3140 603.53662:4795 625.51318:9479 651.53302:12640 656.32635:3768 673.51715:9825 677.55096:5492 679.5625:4273 759.56189:3433 805.24805:3291 851.22375:3402 957.78094:80592 TG 58:7|TG 18:0_18:1_22:6 2489 22.714 950.81439 [M+NH4]+ 0.585 TRUE 14.53 950.81708 C61H104O6 TG GPPIWOJDFFGJMA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 40.6 79 100 1021.67 6-08-18-2022-POS-Isaac-L03 950.81445:6579056 951.8178:8008006 952.82116:3045800 53.0024:12431 53.03887:12585 53.76788:5178 55.05446:101158 57.03371:9473 57.07006:254731 65.03862:7258 67.05439:250526 69.07:203567 71.04908:11275 71.08546:187869 79.05401:115844 81.06964:314424 83.049:9902 83.0856:197372 85.06476:13522 85.10104:131296 91.05426:136409 93.06981:142843 95.04894:11254 95.0853:389255 97.06474:12692 97.10124:161180 99.08015:6997 99.11669:8893 105.06967:93018 107.08524:101647 109.06458:8197 109.10128:218541 111.08042:10819 111.1168:69743 115.05462:8140 117.07011:84601 119.08536:91590 121.10082:154770 123.11647:84077 125.13263:13547 128.06165:6594 129.0695:39531 131.08508:114661 133.10126:63113 135.08073:16455 135.11697:111879 137.13228:35513 139.11119:7161 141.0699:24889 143.08553:45699 145.10126:69316 147.08034:11531 147.11658:42017 149.09634:9203 149.13248:55733 151.14822:18064 153.12733:12139 155.08566:18225 157.10091:45579 159.08009:6273 159.11667:59608 161.09589:12528 161.1321:38616 163.14793:26081 165.16328:16856 167.08499:8267 167.14297:6195 169.10059:35798 171.11685:53761 173.13274:38660 175.11229:9132 175.14835:29002 177.16391:8425 179.17969:5271 181.10039:17431 183.11761:26893 185.13319:32313 187.11098:10779 187.14764:21778 189.12755:9455 189.16385:8166 195.11765:11786 197.13316:20590 199.11205:6087 199.14822:26331 201.12706:9721 201.16373:37799 201.62714:5033 203.14337:6516 203.17912:8879 209.13194:22586 211.14781:43229 213.16347:35420 215.14368:7558 215.179:25332 223.14738:30073 225.16322:16635 227.14401:9679 227.17889:45880 229.15858:6782 237.16286:13296 239.17931:7626 241.15926:14339 247.24269:26571 249.1633:4946 251.179:12881 260.87476:7390 265.19574:10532 265.2533:64089 267.21011:9454 267.26816:31724 269.22549:18846 283.24094:10607 284.29556:4924 293.22583:81014 303.86536:14710 311.23593:104024 329.37946:5565 339.28802:56414 341.30319:66164 367.26248:4951 385.27451:4809 395.31479:5791 605.5473:819007 623.50244:7769 649.5202:166897 651.53284:161699 677.54138:5659 933.79865:7702 TG 58:7|TG 18:1_18:2_22:4 2490 22.305 950.8172 [M+NH4]+ 0.439 TRUE 22.33 950.81201 null null ABENPAILMZUZDF-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.3 99.4 null null null 5013.8 7-08-18-2022-POS-Isaac-L04 950.81439:26583080 951.81774:25430952 952.8211:9037055 53.00239:31202 53.03891:41810 55.01825:12636 55.05443:174656 57.0337:30677 57.07026:403085 62.7157:8283 65.0389:23574 67.05438:837741 69.06997:331226 71.0494:23766 71.08573:341393 77.68539:7859 79.05434:363805 81.06999:1019242 83.049:20476 83.08556:303266 85.06475:34761 85.1014:210745 91.05418:432067 93.06977:425446 95.04943:17895 95.08572:947024 97.06468:58954 97.10116:241605 99.08063:52938 99.11668:8532 103.0542:9036 105.07016:313706 107.08575:302423 109.06519:20235 109.1012:472885 111.08041:32424 111.1169:84132 113.09647:22452 117.07002:235875 119.08529:335577 120.0779:7973 121.10143:348692 123.11714:246855 125.09656:24547 125.13262:18324 129.07031:85943 131.08583:360601 133.10114:303255 135.08072:14299 135.11681:235628 137.09618:18039 137.13229:103173 139.11206:18652 141.06926:9261 143.0854:87557 145.10114:256390 147.11662:199276 149.09633:20085 149.13242:119213 151.11211:16479 151.14784:40727 153.12732:24974 155.08562:18910 157.10173:92770 159.11664:177514 161.13306:152523 163.1122:26571 163.1478:91387 165.12682:12695 165.16328:19371 169.1019:55963 171.11668:129835 173.1326:147266 175.11227:13633 175.14815:117186 177.1272:18393 177.16389:30108 183.11752:34146 185.13287:88181 187.14793:92537 189.12753:10461 189.1637:73197 191.14424:12615 191.1797:10406 193.19492:11487 194.48277:8213 197.13277:43753 199.14798:93521 201.16359:202892 202.01651:8536 203.14336:20280 203.17902:104476 211.14789:40247 213.16354:70546 215.17903:119425 217.15997:19815 217.19604:24160 219.17516:9784 222.54556:28956 225.16306:48306 227.17891:25863 229.15857:16532 229.19556:44068 231.17355:10550 239.17929:18357 239.23688:11953 241.19543:16467 243.17413:14649 243.21078:20921 245.2263:46435 249.25832:9785 253.19328:13522 257.22662:14159 261.22116:13150 261.44794:10547 263.23785:94456 264.12332:8796 265.25369:19358 267.26901:51147 269.22556:36034 271.24112:13758 285.22153:14999 285.25775:9820 287.23868:24970 293.28537:7979 295.24127:108633 297.25906:11052 311.23886:18560 313.25259:268188 315.26852:23802 319.26355:16509 337.27353:105814 339.26831:10710 339.29028:50278 341.30612:139849 365.30569:15887 367.31915:17035 369.28036:61501 385.27448:18599 387.29178:19712 419.03:7896 575.50671:42453 577.52301:12348 601.51923:44343 603.53564:936602 605.54718:12554 623.50238:18027 625.52136:20168 627.54175:30576 629.5542:152294 631.50977:12081 640.49823:9283 649.51843:524283 651.53326:79275 653.55396:479158 655.56866:8748 660.3703:8124 667.53339:8878 677.55292:48495 901.71698:8078 933.79858:21066 TG 58:8|TG 16:0_18:2_24:6 2493 22.04 953.75641 [M+Na]+ 0.829 TRUE 22.06 953.7533 null null OPVCBVWNTKLQQK-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 98.9 100 null null null 601.6 24-08-18-2022-POS-Isaac-S01 953.75537:921163 954.75872:1132601 955.76208:511394 55.05461:7491 56.0593:2878 57.07023:5597 63.95701:3014 65.55435:2899 67.05433:19017 69.06998:18803 71.08538:4618 73.54253:3117 79.05431:7639 81.07001:21325 83.08558:16800 91.05416:11226 93.06973:12371 95.08571:24197 97.10114:11244 100.52895:3274 105.06959:4258 107.08576:5201 109.10122:10813 111.11682:4747 117.07005:3756 121.10145:12145 123.11715:2802 125.31611:3119 131.08585:7735 131.60783:3260 133.14484:3217 135.1169:8352 149.13242:4556 151.14793:2940 151.46764:2801 151.94006:2812 176.24213:3220 179.82506:3464 207.75716:2875 210.08322:2919 265.25357:9288 303.8652:10599 304.88568:3324 351.22812:16562 392.57791:3072 419.14032:3064 603.53412:16556 622.65887:3381 625.51276:30941 649.51965:9558 671.50336:32741 953.74951:115557 TG 58:8|TG 18:0_18:2_22:6 2487 22.056 948.79883 [M+NH4]+ 0.902 TRUE 14.3 948.80151 C61H102O6 TG HHLFQZIIXPUFCA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 38.4 76.7 100 8682.04 9-08-18-2022-POS-Isaac-L06 948.79883:83194840 949.80218:96644096 950.80554:35177272 53.00239:38835 53.03887:45073 55.01803:25216 55.05441:273675 57.03371:31627 57.07003:741795 65.03862:23159 67.05436:1156211 69.06996:411248 71.04908:37955 71.08542:583390 79.05435:430776 81.06999:1299347 83.0489:49432 83.08554:392542 85.06475:48185 85.10096:372771 91.05418:499783 93.06977:555554 95.04893:25502 95.08524:1304499 97.06472:74868 97.10121:331036 99.08067:41458 99.11668:21378 105.0696:325567 107.04894:27171 107.08518:343181 109.10125:715313 111.08042:40653 111.11684:130581 113.09583:25353 115.05395:20275 117.07002:209381 119.08533:364807 121.06503:20810 121.10143:362123 123.11645:359599 125.13187:24683 128.06241:13979 129.06944:120298 131.08583:341985 133.10114:294764 135.08072:38005 135.11694:217996 137.13231:166442 141.06999:65586 143.08572:131915 145.10117:253941 147.08034:35146 147.11658:205953 149.09633:34509 149.13242:137172 151.14784:74461 153.12732:12944 155.08556:64605 157.10071:142191 159.08009:21536 159.11668:160784 161.09589:35672 161.13205:188631 163.14783:123897 165.16441:24571 167.08614:35528 169.10162:99686 171.11659:172089 173.13255:127123 175.11227:28466 175.14827:163625 177.16389:26877 179.17838:13446 181.10156:54521 183.11758:84254 185.13181:111922 187.11235:34817 187.14763:58318 189.12753:29189 189.16331:50494 195.11618:39280 197.1331:75959 199.14793:69801 201.12704:31318 201.16354:112777 202.01651:19474 203.17911:38828 207.11736:12544 209.13182:54490 211.14803:88696 213.16347:97084 215.14366:28539 215.17886:69897 221.132:15850 223.14755:73647 225.1627:57474 227.144:20986 227.17863:129979 229.15858:23744 237.16479:40530 239.17929:29794 241.15924:43673 241.19543:17847 245.2262:59577 249.25832:27443 251.17899:45046 252.35196:13598 255.17502:21759 261.43433:14121 261.44794:24893 263.23596:153707 265.19574:23525 265.25369:16105 267.21008:23201 267.2688:107953 269.22583:64363 283.24347:29603 291.21231:14623 293.22559:247000 303.86533:37729 309.22089:17466 311.23557:215553 319.26355:26840 337.27408:156285 339.28845:19735 341.30322:224678 367.26248:14867 588.37183:14020 603.53601:2538694 647.49835:440072 649.51996:23448 651.53259:431889 931.76471:22475 TG 58:8|TG 18:1_18:2_22:5 2486 21.737 948.79822 [M+NH4]+ adduct linked to 2492_[M+Na]+ 0.634 TRUE 21.733 948.79779 null null ZMFFWUOLHWWCNZ-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 100 100 null null null 4908.54 36-08-18-2022-POS-Isaac-S12 948.79791:2151283 949.80126:2511221 950.80462:955994 55.05457:6798 57.06996:6044 67.05432:35587 69.06989:15227 71.08566:5312 71.44509:2976 72.49914:3403 75.30385:3398 79.05437:17168 79.42038:2972 81.06992:45469 81.16403:2810 83.08548:8533 91.05422:16018 93.06962:22590 93.54527:3282 93.70477:3106 93.91694:3149 95.08568:40644 97.10108:5071 99.08003:5305 105.06952:10435 107.08509:12076 109.10126:16139 117.06997:3872 119.08541:15282 121.10137:13701 122.98884:2930 123.11707:10106 131.08575:5925 133.10098:15853 135.11681:9734 136.37933:3029 137.13222:6457 145.10109:6758 147.11655:6159 149.13232:4233 156.69872:3198 159.11653:3447 161.13193:7903 163.1478:4865 175.14816:5355 177.50977:3531 182.05122:2807 189.16502:4774 192.82909:2890 199.14799:3514 203.17886:3528 215.17899:3830 229.19556:3768 263.23816:4664 314.29376:3159 315.26816:7370 337.27405:5541 454.76746:3481 599.50647:29900 601.51923:7286 604.82721:3412 625.51227:4913 628.01385:4314 649.51923:4920 651.53302:37662 766.68988:4578 776.80566:3203 TG 58:9|TG 18:1_18:2_22:6 2482 21.432 946.78259 [M+NH4]+ adduct linked to 2491_[M+Na]+ 0.976 TRUE 14.1 946.78583 C61H100O6 TG RLAPDVQGJNAHOC-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 27.2 84.4 100 12009.7 22-08-18-2022-POS-Isaac-L18 946.78558:129980328 947.78893:155265648 948.79229:55938960 53.00235:20797 53.03882:41422 55.01799:21382 55.0544:271224 57.03366:29112 57.07:136510 65.03858:37150 67.05433:1038597 69.06994:498101 69.07299:10999 71.04934:31407 71.08541:78082 75.16026:10852 79.0543:405689 81.06995:1255808 83.04918:42867 83.08554:403189 85.06479:60059 85.10104:43101 91.05416:456352 93.06972:588316 95.08521:1100753 97.06471:63200 97.10115:252716 99.08023:40234 103.05412:9992 105.06958:308358 107.08517:357914 109.06449:18782 109.10119:527446 111.08045:59481 111.11674:80833 113.09569:36037 115.05452:18983 117.06999:196901 119.08529:323642 121.06494:14613 121.10142:463610 123.08046:13714 123.11642:283840 125.09572:29633 127.11156:22850 129.06938:92405 131.08582:249588 133.10115:275056 135.08061:26434 135.11685:326797 137.09605:23795 137.13225:117533 139.11108:19044 141.07004:38048 141.12762:9955 143.08546:109943 145.10114:172703 147.08022:31108 147.11667:175421 149.09641:38074 149.1324:177931 151.11198:21084 151.14796:68277 153.12732:38109 155.08549:41266 157.10081:95093 159.11661:136923 161.09575:19653 161.13199:177143 163.11208:11574 163.14786:124135 165.16429:32226 167.08485:19438 169.10181:61359 171.11691:113027 173.13264:83159 175.14816:132467 177.16354:48984 179.14349:14746 181.10191:40986 181.15919:11232 183.11612:78120 185.13177:87126 187.1122:18591 187.14766:57989 189.1274:30157 189.16367:64361 191.17957:27489 193.15874:15008 195.11601:20832 197.13263:53511 199.11188:15608 199.14821:57658 201.12689:27482 201.16354:84021 202.40842:13637 203.1432:13273 203.17899:74178 209.13219:40747 211.14816:81224 213.16299:62673 215.14349:18566 215.17909:52468 217.19589:20614 220.20396:43970 221.19009:12099 223.14899:29389 225.16283:42461 227.17854:71526 229.1584:14017 229.19565:34387 231.17528:11047 237.16463:24552 239.17911:13207 239.23669:10740 241.15906:17006 241.19524:19159 243.2106:13594 245.2265:55147 247.24213:37916 251.17879:17840 262.0228:11922 263.23587:168572 265.19553:15358 265.25333:94208 267.21033:38091 269.2262:38923 271.24091:22836 283.24069:12543 285.22131:18552 287.23587:11106 293.22522:99285 295.2417:68203 311.23596:99491 313.25269:66319 319.26331:25498 321.27853:12770 337.27411:171470 339.28824:132879 363.28983:12213 391.28247:9109 488.73117:10266 573.48358:31892 599.50568:649481 601.52008:1053937 625.52063:36971 627.53552:58623 647.49982:237944 649.5202:422164 651.53229:12407 673.51642:10680 929.75189:20112 TG 58:9|TG 18:2_18:2_22:5 2483 21.103 946.78632 [M+NH4]+ 0.634 TRUE 14.1 946.78583 C61H100O6 TG DNOZVMIUNWBFHO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 35.4 87.3 100 1298.25 8-08-18-2022-POS-Isaac-L05 946.78613:6207402 947.78948:7499587 948.79284:2582950 53.00239:7573 53.03887:14858 55.01803:8928 55.05448:91367 57.03371:11388 57.07014:37621 57.30565:4365 65.03862:12430 67.05416:444953 69.07005:127308 71.04908:16978 71.08545:24687 72.02341:4225 75.15437:5070 76.61448:4449 79.05409:187528 81.06972:551637 83.049:11301 83.08529:112216 85.06497:19730 85.10099:12648 91.05431:190669 93.06989:260758 95.04893:12304 95.08538:464785 97.06475:26364 97.10134:55981 97.21377:3988 99.08035:25460 102.12717:6986 105.06977:151867 107.08535:153019 109.06458:9244 109.10139:219866 111.08065:18919 111.11688:16883 113.09583:9456 115.05395:7108 117.06954:79457 119.08548:143952 121.10097:162898 123.08056:5770 123.11662:125170 125.09582:13446 127.11166:4729 129.06966:40881 131.08524:139989 133.10133:144199 135.1171:112442 137.09618:15165 137.13269:43999 139.11119:13223 141.07018:9066 143.08575:36740 145.10141:100043 145.57718:4277 147.11691:100679 149.09633:8000 149.13269:67062 151.11211:6264 151.14801:17308 153.12733:9417 155.08563:8024 157.10086:31040 159.11688:85637 161.13229:77814 163.11108:6354 163.14828:55801 165.12683:6871 165.16328:9203 167.14296:4579 169.10077:18692 171.11725:41898 173.1329:59121 175.14841:57962 177.1272:5947 177.16391:15949 179.14233:4599 181.15804:4947 183.11621:15827 185.13208:37240 187.14822:38323 189.12614:7210 189.16393:29983 191.14284:5458 191.17972:6230 193.15889:7931 193.84666:4461 197.13309:11034 199.14861:31761 201.12704:5400 201.16383:70452 203.14336:5403 203.17911:17563 211.14818:15673 213.16422:24401 215.17947:38852 217.19434:6106 219.17342:4920 223.14737:5133 225.16344:19412 227.17892:9932 229.19397:14428 231.17357:8520 239.17931:9992 243.17415:4947 243.2108:5395 245.22668:29653 251.17899:7623 253.1933:7549 257.19119:4252 259.16873:4524 261.22116:13603 263.23636:76059 267.21011:4947 285.22156:4783 295.24191:47042 297.10233:4308 303.86249:9750 309.25885:4924 311.23593:13524 313.2529:87928 315.26855:7907 317.246:4787 319.26355:11615 335.25864:8591 337.2749:90146 339.28845:8272 369.27658:18128 385.27448:9696 387.28769:7894 575.47968:8030 597.48712:22002 599.50647:366070 601.51202:10002 623.50244:6914 625.513:6381 647.50757:7114 649.52094:425576 651.53595:22095 655.17242:4061 764.92755:6087 929.75269:11467 TG 60:10|TG 18:0_20:4_22:6 2514 21.858 972.80035 [M+NH4]+ 0.61 TRUE 14.21 972.80151 C63H102O6 TG RXVLBDOYHGQIHF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 32.7 85 100 1070.76 8-08-18-2022-POS-Isaac-L05 972.80072:4354490 973.80407:6166464 974.80743:10491574 51.67586:3090 55.05443:14454 57.07009:39033 57.59364:3379 59.7266:3430 62.72238:3661 67.0544:48198 69.07003:23627 71.08548:30111 79.05408:42132 81.0697:56324 83.04902:4571 83.08566:22306 85.06435:3737 85.10111:26632 91.05429:81866 93.0699:50300 95.08538:70757 97.06475:8391 97.10124:17930 99.08016:3927 102.12774:6570 105.06974:56576 107.08537:29279 109.10138:36228 111.08044:5437 111.11627:7043 117.06946:39696 119.08551:78268 121.10091:34115 123.08058:6025 123.11649:15253 125.09584:4876 129.06969:17525 131.08527:47828 132.66296:3542 133.10138:52977 135.0799:6965 135.117:18302 137.13239:6670 141.06929:6015 141.40356:3008 143.08562:13749 145.10133:23335 147.11681:24540 149.09636:6382 149.13252:7960 151.14804:3856 155.08566:5022 157.10106:18265 159.11674:15227 161.09592:3742 161.13229:19809 169.10062:9326 171.11696:21814 173.13264:15811 175.11107:6021 175.14842:16525 183.11624:4419 185.13205:22110 187.14806:17924 189.12617:5023 189.16388:9326 191.17975:4685 191.23225:3413 195.11768:6400 197.13312:7181 199.14827:13141 201.12708:3841 201.16409:16596 203.1792:78979 203.20558:3700 211.14821:8154 213.1636:11239 225.16325:4080 227.17896:11071 241.15929:4027 259.24268:5657 269.22617:40111 287.23624:23040 293.22614:14012 311.23721:16710 341.30389:102255 385.27048:7459 395.31485:6628 627.53479:116631 651.53418:89022 671.5061:32882 708.41699:3832 754.05206:4134 780.5274:3805 809.05157:3725 813.28046:3842 852.01074:3891 946.97168:4040 TG 60:10|TG 18:1_20:3_22:6 2513 21.503 972.79987 [M+NH4]+ 0.537 TRUE 14.2 972.80151 C63H102O6 TG DVAPBZSENUJOGR-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 34.1 80.8 100 509.91 6-08-18-2022-POS-Isaac-L03 972.80066:2625796 973.80401:1601958 974.80737:484875 50.71535:3404 53.03888:5569 53.36027:3316 55.05447:38233 57.03372:5617 57.07011:26148 57.86819:3462 65.03863:3220 67.05446:111448 69.07009:63738 71.04909:6962 71.08543:8830 75.15649:4968 76.30621:3259 78.17064:4331 79.0541:90816 81.06975:127282 81.95689:3484 83.0857:58622 85.06477:3924 85.101:10184 85.77972:3643 87.60863:4295 91.05433:82071 93.06992:123711 95.04895:5946 95.0854:122459 95.83375:3060 97.06475:12055 97.10133:38476 98.67062:3390 99.08016:7165 102.12774:8815 103.05591:3370 105.06983:42677 107.08538:74575 109.00226:5091 109.1014:60384 111.08044:7857 111.1169:15445 113.09585:4962 117.06957:32267 119.08547:50353 121.10092:89841 123.07985:4009 123.11673:21563 125.13265:4057 129.06482:4037 129.06967:22154 131.08527:52514 133.10132:42027 135.0799:4706 135.11705:48139 137.1324:13159 139.11121:5578 141.06929:7064 143.08594:16371 145.10127:38557 147.11687:20037 149.13281:27369 151.14804:4802 153.12735:9140 154.01511:3676 155.08566:8730 157.10098:17290 159.11713:23160 161.09592:4552 161.13228:20228 163.14828:26343 169.10063:10814 171.11693:20139 173.13297:18896 175.14841:11827 177.16394:10947 181.10049:6471 183.11757:11748 185.13194:11911 187.14812:12043 189.16388:7615 191.17975:4019 195.11621:6763 197.13164:5671 199.14827:12987 201.16359:18768 203.17915:10215 209.13203:7934 211.14822:10884 213.1636:13457 215.17928:6524 223.14742:9445 223.34616:8998 223.96201:3932 225.16325:6699 227.14221:4015 227.17896:12245 229.15862:4542 237.16289:5006 239.17934:3750 243.93524:3566 247.24274:7650 251.17905:4928 265.19348:4382 265.25308:21657 267.21014:4810 269.2262:8441 271.24118:9635 289.25098:12535 293.22528:20657 311.23608:22836 339.28918:21872 345.27774:7226 358.69547:3314 363.29019:11326 365.30579:4095 459.11465:3678 465.3399:3435 627.5351:234924 629.55511:6858 649.521:58251 651.53296:5788 673.51923:38611 972.76569:3989 TG 60:11|TG 16:0_22:5_22:6 2521 21.126 975.73834 [M+Na]+ adduct linked to 2510_[M+NH4]+ 0.902 TRUE 14 975.74121 C63H100O6 TG QVOHTEKWCOOZBV-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 47.6 69.8 100 106.22 37-08-18-2022-POS-Isaac-S13 975.74158:777059 976.74493:980720 977.74829:370612 52.78818:2674 55.05456:3505 57.07018:7611 59.69357:2770 60.08091:4913 60.50184:2959 67.05427:9253 67.68443:2967 69.06988:3917 76.02528:3402 79.05425:9419 81.0699:10537 83.08547:5357 85.00698:3293 91.05408:13198 93.07014:6923 94.89083:3077 95.08563:7375 97.10107:3320 102.12759:10055 105.07008:7040 107.08567:3699 109.10113:3584 119.0852:5678 121.10135:3517 123.06647:2973 129.75456:3451 131.08574:4210 133.10104:3298 134.26009:3128 134.52689:3512 145.10107:5984 148.52504:3018 156.48412:3355 162.42867:3056 171.60188:3066 199.07709:3129 220.01685:3033 286.26089:3385 351.22849:9313 359.11469:3013 371.53799:3059 463.84485:3675 625.52063:4724 645.48608:8767 647.49908:21445 671.49396:6960 697.33325:3328 719.49561:6226 765.39233:4505 975.73724:63908 TG 60:11|TG 18:1_20:4_22:6 2510 21.128 970.78351 [M+NH4]+ adduct linked to 2521_[M+Na]+ 0.976 TRUE 13.98 970.78583 C63H100O6 TG YDCWNPRKDZMBHL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 27.6 84 100 1748.76 23-08-18-2022-Pos-QC02 970.78369:9116002 971.78704:11200037 972.7904:4314749 51.18678:3092 53.03884:4541 53.38535:3350 55.01822:3758 55.05459:29538 57.03367:3909 57.07017:26905 65.03858:5566 67.05427:95038 69.06991:47005 71.08529:15536 75.16133:4004 79.05427:60565 81.06989:100477 83.04936:4346 83.0855:33361 85.06471:4208 85.10136:14170 87.61428:4212 91.05411:96645 92.2557:4213 93.06971:73591 95.04938:7358 95.08562:90836 97.06468:10260 97.10115:22212 105.07005:75450 107.08565:41657 107.22329:3120 109.10112:48149 111.08035:7837 111.11681:12909 113.92938:3332 114.8085:3366 117.06987:40913 119.0852:79155 121.10136:55334 123.11714:12875 124.82056:3223 125.09575:7359 129.06998:18877 131.08571:59673 133.101:58546 135.11685:41903 136.2914:3385 137.09608:4692 137.13229:4842 141.06918:6337 143.08543:25652 145.10101:34068 147.11646:30702 149.13222:24578 151.14792:6703 155.08554:6809 157.10092:17259 159.11633:23495 161.09689:4535 161.13197:17238 163.1479:8543 167.40765:3791 169.10168:9359 171.11647:35029 173.13268:15359 175.11218:7577 175.14796:16450 177.1638:5265 181.10165:4065 183.11743:8549 185.13252:21226 187.14796:13824 189.12743:5812 189.16374:12533 192.26411:3726 195.11607:5424 197.13297:8102 199.14812:12556 201.16313:17006 203.17862:49296 211.14806:8009 213.16345:11022 215.17912:8001 223.14725:4237 227.17879:11788 237.16467:4835 243.21065:4342 259.24249:4561 265.25354:11907 269.22559:30567 281.22751:3778 283.24075:4385 287.23853:13338 293.22592:15186 298.98306:3514 311.23575:13605 313.25269:4302 313.27353:4123 333.53842:4153 339.28802:83168 349.47922:4087 378.08179:3453 385.27426:10208 393.29703:4926 406.1124:3562 599.55255:3699 623.50208:10270 625.521:99186 649.52002:85875 671.50494:25393 697.51172:5935 TG 60:11|TG 18:2_18:3_24:6 2511 20.871 970.78412 [M+NH4]+ 0.878 TRUE 13.97 970.78583 C63H100O6 TG MRDJULUPTYICJA-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 14.9 88 100 933.3 22-08-18-2022-POS-Isaac-L18 970.78357:14183648 971.78692:17733844 972.79028:6393645 50.92633:3038 55.05439:7583 57.03368:3334 57.06999:8848 58.56365:2791 65.96541:3064 67.05442:38386 69.06993:11274 71.08538:5155 72.00566:3435 77.17911:3172 79.05435:28047 79.24406:2650 81.06964:33167 83.04896:4108 83.08553:6027 87.93919:3269 91.05427:33048 93.0698:31759 95.08528:37954 96.0885:3890 97.10114:4934 105.0697:17193 107.08536:15439 109.10129:17081 113.14937:3223 117.06936:12686 118.49386:4056 119.08536:17262 121.10073:18305 123.11642:7262 125.22202:3354 129.06944:6976 131.08498:23361 133.1012:16484 135.1169:8727 139.91785:3538 141.06918:4463 143.08551:5458 145.1012:9663 147.11665:10045 149.13242:5133 155.08556:4706 157.10075:3594 159.11662:8345 161.13202:11611 163.1479:5560 166.75958:3253 168.87527:3104 171.11676:5943 173.13268:6271 175.11966:3404 175.14827:4609 185.13181:7326 187.14798:4348 201.1637:5650 203.179:3550 243.21066:6518 287.65451:3500 304.77997:3308 337.27426:9668 427.53732:3102 517.12421:3238 525.42914:3738 597.48743:15325 623.50208:8500 624.50616:11478 625.5127:6768 644.0979:3708 649.51959:6567 673.5166:7030 675.53845:9664 765.98438:5533 799.57385:3891 955.99835:3765 TG 60:12|TG 16:0_22:6_22:6 2509 20.803 968.76941 [M+NH4]+ 0.951 TRUE 13.84 968.7702 C63H98O6 TG VLEDHTUUVAXNOJ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 33.7 70.8 100 10660.48 34-08-18-2022-Pos-QC03-S 968.7691:1330671 969.77245:1845656 970.77581:1119087 53.03882:3751 55.05437:5135 57.07005:19699 59.15386:2818 59.27224:2874 60.59595:2957 60.8008:3064 63.71769:3167 65.44961:2837 67.05434:23997 69.06991:8208 71.08536:13569 75.94247:2802 78.21138:2950 79.05438:17929 81.06994:27043 83.08551:9192 85.10091:12170 86.00996:2744 88.08277:3334 91.05426:32601 93.06978:22117 95.0598:2902 95.08521:23630 97.10111:5193 105.0695:14662 107.08513:7113 109.10118:11837 117.07002:17178 119.08528:15531 121.10069:12101 123.11711:6396 125.42155:3226 129.06941:10204 131.08591:19246 133.10109:15491 135.11685:5270 143.08546:9109 145.10139:14620 147.11659:5428 149.13237:4345 157.10071:3345 159.11658:13157 161.13197:7987 169.10045:4853 171.11671:8605 173.13263:5084 176.39162:3286 178.70923:3316 183.11604:5030 185.1331:6633 199.14806:5849 201.12688:3283 201.16364:6459 213.16341:4684 217.42114:3046 224.3094:3342 224.32204:5574 235.1774:3194 293.22583:5549 313.27344:9832 320.04556:3265 369.98993:3404 606.94891:3246 608.01782:3575 623.50244:75321 692.83801:3410 695.4986:11797 TG 60:12|TG 18:1_20:5_22:6 2508 20.472 968.76917 [M+NH4]+ adduct linked to 2517_[M+Na]+ 0.902 TRUE 13.81 968.7702 C63H98O6 TG NZLVRFDQKNFKNY-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 26.6 82.1 100 6678.18 13-08-18-2022-POS-Isaac-L09 968.76953:7589228 969.77288:9906034 970.77624:3763371 51.66867:3757 53.00239:5926 53.03886:10422 54.68178:3912 55.01803:5864 55.05439:50648 55.40008:3308 57.0337:4599 57.07002:25066 58.66871:3899 65.03861:3377 67.05435:143439 69.06995:80498 71.04907:3842 71.08541:10465 72.75671:3501 75.16101:4476 76.62131:4290 78.17507:6184 79.05434:105826 81.07:138473 83.04899:10297 83.08556:56611 85.06475:10187 85.10098:6931 87.61389:5417 89.34316:4062 91.05419:144645 93.0698:116442 95.04893:9456 95.08524:129253 97.06472:20646 97.10121:43924 99.08014:5486 105.06966:96433 105.27807:3597 107.08522:66166 109.01017:4881 109.06457:5165 109.1012:57490 111.08041:8598 111.11687:13623 115.0546:4054 117.07006:78252 119.08534:74616 121.10152:88314 123.08055:7078 123.11645:19357 125.09656:3535 128.06241:5119 129.06947:45103 131.08586:116860 133.1012:68727 135.0807:6479 135.11696:55467 137.09616:3939 137.13235:4440 141.07014:12383 143.08562:42510 145.10123:70341 147.08032:5614 147.11652:35724 149.09534:5757 149.13235:24268 155.08562:14359 157.10098:32614 159.11659:49076 161.09587:6797 161.13216:27379 163.11107:4966 163.14798:11775 165.16327:3236 169.1004:18048 171.11662:39056 173.13263:31595 175.11227:5413 175.14851:18759 177.16389:4539 181.10175:8286 183.11751:18826 185.13185:34199 187.14827:17992 189.12613:6378 189.16383:5321 191.93683:4017 195.11763:7400 197.13307:20933 199.14841:19121 201.12703:8122 201.16364:71333 203.14334:4486 203.17909:12748 209.13197:4230 211.1481:19564 213.16356:14403 215.17923:4823 219.68813:19330 223.14914:9420 225.16319:5852 227.14398:4763 227.17889:9247 237.16479:5880 238.05347:4561 241.1954:4923 247.24268:9610 252.23578:4344 265.19571:5045 265.25195:17293 267.20996:31738 269.22614:9358 270.4754:3572 285.22153:14808 293.22607:13396 302.06781:3756 311.23544:15493 337.27441:9048 339.28833:113438 385.27448:14031 393.30142:7524 404.64487:4144 487.65454:4360 542.67798:4114 553.77087:3713 623.50281:147834 647.49866:11847 649.52039:120909 669.49103:28758 TG 60:13|TG 18:2_20:5_22:6 2507 19.849 966.75244 [M+NH4]+ adduct linked to 2512_[M+Na]+ 0.976 TRUE 13.73 966.75452 C63H96O6 TG GKGVYCDLFAHWTQ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 29.2 82 100 660.35 27-08-18-2022-POS-Isaac-S04 966.75366:5372748 967.75701:7616825 968.76037:2798242 51.7423:3660 53.03885:4190 55.05462:7241 56.0494:3053 60.52995:3003 67.05427:27275 67.22947:3253 69.06995:6709 79.05424:18395 81.06987:34003 91.05418:24030 93.06973:26164 95.08563:23784 97.06471:4135 105.07015:22887 107.08578:12417 109.10124:13843 110.31328:3574 117.07024:15806 118.53822:3977 119.08528:16151 121.10147:10406 123.11718:4171 129.06947:7681 131.08578:16469 133.10117:12906 135.11693:5963 143.08554:10425 145.10123:10683 147.11668:8839 157.10078:7012 159.11667:9228 161.13206:6682 169.10173:5094 171.11681:4605 185.13319:3950 201.16374:11237 212.22772:3123 223.14909:3241 224.03387:6419 224.04468:3727 337.27435:17258 621.48376:18569 647.49829:19830 669.48163:4015 TG 60:4|TG 18:1_24:1_18:2 2530 24.841 984.8949 [M+NH4]+ 0.488 TRUE 15.6 984.89539 C63H114O6 TG NWGBVTAVFQNIRZ-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 60.9 90 100 307.5 19-08-18-2022-POS-Isaac-L15 984.8949:2832440 985.89825:2876515 986.90161:976760 55.05459:57636 57.03367:3640 57.0702:45779 58.11444:3720 59.42417:3798 64.22001:3152 67.0543:127801 69.06991:118778 71.04903:6295 71.08563:34893 75.16097:4247 75.85942:3891 79.05425:30472 81.06993:192493 82.24674:3890 83.08548:103412 85.0647:7809 85.10135:14922 86.42946:3198 91.05414:11923 93.0697:51074 95.08566:192762 97.06467:8374 97.10107:92423 99.08008:8566 101.07873:3218 104.17797:3459 105.03605:4039 105.07015:12236 107.08578:35041 109.10111:95816 111.11675:32831 113.0964:4706 119.08528:12888 121.10137:64137 123.11708:53033 125.13254:7797 133.1011:21037 135.11678:46539 137.13206:20937 139.11198:4009 141.12766:5631 147.11662:12190 149.13245:26031 151.1479:13602 153.12721:4361 158.52354:3951 161.1331:11434 163.14789:12831 175.14825:10687 189.16373:5200 208.55997:3639 221.41103:11449 234.63437:4102 235.8954:4094 245.22606:16300 247.24252:11561 263.23584:32201 265.25339:23238 268.44278:3351 319.26334:4472 324.69666:4023 331.33569:5158 337.27423:4866 339.28821:9541 343.28174:3525 347.33228:4277 349.34546:30551 363.66559:3428 423.38229:12455 559.42365:5039 573.29199:4285 575.50891:4686 601.51971:267033 603.53577:23672 605.55475:4123 619.94043:3971 629.54614:10581 657.58215:10193 683.59265:8567 685.61261:210614 687.63068:211090 711.62567:5389 TG 60:5|TG 18:1_18:2_24:2 2527 23.969 982.87787 [M+NH4]+ 0.488 TRUE 24.028 982.87671 null null IENOESCPDCOXKS-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 95.1 90.8 null null null 212.02 22-08-18-2022-POS-Isaac-L18 982.87781:1071811 983.88116:1026061 984.88452:405338 52.66326:3723 55.05461:7673 56.99139:2922 57.06999:8239 61.46691:2863 67.05438:29579 67.84408:2972 69.06992:22282 71.08538:6702 79.05393:7197 81.06998:49621 83.08562:20904 85.81123:2983 91.05415:3595 93.06973:11075 95.08529:43740 97.06417:2705 97.10114:14624 99.08009:4175 107.08516:10741 109.10138:18842 111.11682:6368 116.48342:3247 119.08529:5935 121.10144:12279 123.11642:11930 128.90117:3415 133.10114:4004 135.1169:10903 137.13229:4705 149.13242:6566 223.0435:3244 263.23602:7011 265.25125:3733 337.27426:3385 355.4104:3049 372.43561:3455 438.62479:3501 522.43567:3381 558.42358:3329 599.50531:6756 601.52008:36577 627.53302:5806 629.5462:12931 655.56836:10481 657.58221:13590 683.59564:30322 685.61395:29969 698.35303:3396 740.65033:3740 765.41571:4599 TG 60:8|TG 18:0_20:4_22:4 2522 22.638 976.83118 [M+NH4]+ 0.61 TRUE 22.695 976.8302 null null JDIGEAMTNDVYQL-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 96.4 93 null null null 280.01 18-08-18-2022-POS-Isaac-L14 976.83093:1574640 977.83428:1873831 978.83764:690482 55.05219:3196 55.05439:8982 57.07011:16218 60.08096:4974 67.05441:24930 69.07005:22647 70.09686:3334 70.37682:3012 71.08538:5809 72.73836:3163 79.05393:12118 81.06999:30363 83.08564:17185 85.10094:3861 87.29862:3550 91.05436:17374 92.43959:3167 92.51931:3170 93.06973:12680 95.08534:29023 97.10127:17518 102.12767:3844 105.06959:9454 107.08516:11096 109.10139:16449 111.11682:11562 117.07004:6654 117.48045:3167 119.08529:8597 121.10144:7940 123.11642:5864 126.27645:3185 131.08504:12711 133.10114:11862 135.11688:15491 137.13229:3905 143.08551:5435 145.1012:5305 147.11665:5505 149.13242:5012 161.13202:3986 171.11676:8562 173.13269:4112 175.14827:4469 182.47534:3324 199.14662:3604 201.1637:3942 203.179:8129 214.87608:3402 230.70625:3075 265.25125:3810 269.22601:4266 287.23593:3291 293.28253:3247 311.23578:6292 339.28827:4705 341.30334:6160 367.31897:4945 390.97946:3370 629.5462:5241 631.56201:49164 649.51959:10673 655.56836:7437 677.55048:7224 760.53986:3869 TG 60:8|TG 18:1_20:3_22:4 2523 22.269 976.83215 [M+NH4]+ 0.463 TRUE 22.31 976.82666 null null OHDWRQOOVSCGBH-UHFFFAOYSA-N null annotated by user-defined text library TRUE TRUE FALSE FALSE FALSE null null 92.6 95.7 null null null 350.61 23-08-18-2022-Pos-QC02 976.83136:5427119 977.83471:5868359 978.83807:2124222 52.11854:3956 53.00256:9888 53.03883:15586 55.05458:94953 57.03367:8849 57.0702:49779 59.06044:3915 61.53085:4275 65.03857:12496 67.05431:379111 69.06991:195350 71.04935:11011 71.0854:23783 71.21262:4027 75.16062:5584 76.62163:5284 79.05429:139385 79.75468:3948 81.06994:459273 83.04935:8961 83.08551:155647 85.0647:14881 85.10135:16017 87.61383:5635 89.4116:3970 91.05271:13867 91.0541:114514 93.06971:191692 95.04887:6664 95.08567:362510 97.06466:19742 97.1011:90533 99.08059:21053 105.07011:100447 107.08572:134658 109.0095:6260 109.06512:6543 109.10116:203857 111.08037:20288 111.11672:37023 113.09575:10942 117.07003:60943 119.08532:93732 121.10137:197503 123.08047:5745 123.11703:89869 125.09573:10844 126.09153:4200 127.11158:6978 129.07021:15211 131.08575:100174 133.10098:91406 135.11681:129007 137.13231:34597 139.11197:8752 141.07007:8103 143.08542:20333 145.10109:88607 147.11652:60858 149.13222:69966 151.14764:18312 153.12721:15903 155.08553:9294 157.10075:25192 159.1165:64034 161.13187:53606 163.14784:44672 165.12785:5428 165.16318:12235 167.14285:5571 169.10165:12796 171.11667:30979 173.13257:46048 175.14822:45696 177.16377:17298 179.14351:6227 183.11742:13884 185.13278:17025 187.14786:29836 189.16371:13367 191.1427:5031 191.17958:7460 195.17458:3893 197.13295:6517 199.14795:19113 201.16357:29626 203.17828:18124 211.14803:10254 213.16362:22681 215.17909:16344 217.19591:6792 219.175:5155 225.16306:6306 227.17876:11366 229.19566:8804 232.27353:4539 239.17912:10035 241.19527:6880 243.21063:5119 245.22652:16020 247.24252:16159 257.19101:5244 259.20663:5459 261.22098:5427 263.2359:41142 265.25333:52152 271.20499:4230 275.20212:5029 285.22134:6340 291.26816:5246 297.25613:7199 300.07104:3915 313.25565:4041 315.26831:6503 319.26334:7841 321.28165:4025 323.27234:16153 337.27386:30782 339.26807:11792 339.28821:39955 341.28287:107699 357.28079:5290 397.30881:21770 413.30588:7152 415.32034:9217 441.47391:4633 456.11377:5315 493.68091:4715 518.82001:4023 535.74829:3834 585.5014:4332 599.50519:6375 601.51965:352191 603.51221:6299 627.53522:21658 631.56049:4707 651.53235:16083 653.54565:4865 677.55121:194605 679.56256:185094 681.58234:5805 695.5578:7656 763.99664:5330 937.22314:3982 959.80176:7148 TG 60:9|TG 16:0_22:4_22:5 2519 22.046 974.81433 [M+NH4]+ 0.805 TRUE 14.39 974.81708 C63H104O6 TG ZLGISRYZSOROKG-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 22 88.1 100 316.35 4-08-18-2022-POS-Isaac-L01 974.81525:2920448 975.8186:2427190 976.82196:1036502 52.5384:3437 55.03362:3268 55.04655:2956 55.05444:15046 56.39545:3341 57.07002:31035 60.41867:3110 66.23173:3875 66.974:3781 67.05436:73912 69.06992:30703 71.08549:27157 73.07292:3057 78.82849:3053 79.05398:36000 79.64477:3304 81.07001:76147 82.32617:3178 83.08562:30027 85.10112:15447 85.22801:3024 91.05416:67405 93.06979:55449 95.08525:75873 96.39929:2914 97.06478:4199 97.10124:11439 99.08019:4744 99.57705:3354 102.12777:6610 105.06964:52220 107.08526:33789 109.10125:39264 111.07984:4384 117.06999:27225 119.08537:51969 121.10083:42437 123.11646:15393 129.06958:7080 131.08508:43998 133.10117:42435 134.24612:3372 135.11693:26150 136.38467:3055 137.09624:4118 137.13158:4337 141.06934:4464 143.08565:13885 145.10127:24464 147.1169:17434 149.09543:4547 149.13257:13025 151.14809:7356 157.10091:12982 159.11662:21145 161.13219:14509 163.14807:9768 169.10185:4973 171.11693:13822 173.13286:13390 175.14845:9693 183.11629:3510 185.13199:11459 187.14816:12865 189.16393:9809 197.13318:4124 199.14833:10541 201.16396:16796 203.17935:30409 211.14828:5407 213.16368:7553 215.17935:12549 217.02786:34328 217.19444:8720 227.17903:7856 229.19594:5377 239.237:3629 241.19556:5971 262.99573:3505 265.2515:3552 269.22629:9298 277.04227:3711 287.23624:5510 293.74442:3884 295.24197:10866 297.25647:7690 311.23608:5168 313.25302:13398 313.27386:15282 315.26868:14502 337.42429:3427 339.26849:3996 339.2886:8999 353.14496:3066 354.41656:3812 371.29272:3656 389.30453:6001 500.56522:4110 516.94171:3458 601.5202:6632 625.52209:46262 627.53442:47985 629.54681:7838 651.53314:6048 653.54846:22637 675.53912:7831 677.55115:5441 701.54608:23585 704.03485:4191 TG 60:9|TG 18:1_18:2_24:6 2520 21.841 974.81445 [M+NH4]+ 0.439 TRUE 14.37 974.81708 C63H104O6 TG JUCRAOVBUUHPMF-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 23.5 89 100 312.12 22-08-18-2022-POS-Isaac-L18 974.81445:21140612 975.8178:25647568 976.82116:9424740 51.70375:3662 53.00236:6729 53.03883:14090 55.018:6340 55.05445:85132 57.03367:7145 57.07003:41842 65.03857:10549 67.0544:290495 67.7386:3455 69.07002:136975 71.04903:8946 71.08553:19152 73.1853:3774 75.16027:5678 76.20141:4165 79.05402:129669 81.06965:333841 83.08562:103996 85.0647:14392 85.10093:16633 87.61295:5256 91.05424:140478 93.0698:177388 95.04887:7657 95.08531:318296 97.06476:24936 97.10125:73273 99.08008:13905 102.12765:9494 102.54945:3673 104.542:4574 105.06967:95989 107.08525:120342 109.00889:4424 109.1013:165834 111.08042:23366 111.11696:26638 113.09575:12811 115.05387:3933 117.07008:71662 117.63095:3704 119.08537:114999 121.10081:143975 123.07974:4684 123.11656:72016 125.09573:12913 127.11158:6933 129.06956:39871 131.08511:107628 133.10117:97987 135.11697:105269 137.09608:10303 137.13237:23486 139.11197:8430 141.07007:11680 143.08556:39713 145.10126:70982 147.11662:60146 149.09624:8142 149.13258:67941 151.112:7472 151.14804:20723 153.12721:11216 155.08568:16987 157.10095:45836 159.11673:54102 161.13219:49253 163.11098:6818 163.14795:39801 165.16318:12414 167.14285:4621 169.10052:23017 171.11696:55657 173.13284:48345 175.14844:43442 176.11655:3484 177.12708:5729 177.16377:15273 181.10033:5971 183.11742:13916 185.13181:36171 187.14812:23500 189.16351:18065 191.17818:4129 195.11751:4368 195.83931:3546 197.13295:15833 198.13966:3841 199.14844:32450 201.12691:5693 201.16382:30150 203.17897:16104 209.13187:5716 211.14803:14241 213.16388:20327 215.17915:21936 217.19418:5010 221.96915:3482 223.14722:5666 225.16306:14986 227.17876:16839 229.19566:8655 231.21115:5552 232.11778:4516 237.16267:6328 239.17912:13684 241.19556:24478 243.2108:19335 245.22652:12410 247.24252:9048 251.17882:7391 253.19528:6062 255.20987:12913 263.23602:27751 265.25122:23602 278.10941:3692 289.25336:9734 295.24161:4542 303.89072:6046 311.23572:5680 313.25266:11655 319.26334:9438 321.2569:24924 323.27548:6038 325.06128:3964 337.27444:62350 339.26807:35278 339.28821:50800 341.28299:11224 363.28986:4739 378.33444:3998 391.28665:4168 395.29343:4842 498.14474:3862 527.23096:4222 599.50604:83484 601.52069:212710 625.521:10661 627.53381:54742 629.54608:4328 649.51953:7126 651.53418:32478 653.54565:10218 675.53058:89146 677.55182:100131 679.56183:9307 714.42603:4088 715.59601:3995 767.73975:4050 914.88214:4174 957.7937:5793 TG 62:12|TG 18:1_22:5_22:6 2542 21.072 996.79919 [M+NH4]+ 0.805 TRUE 14.1 996.80151 C65H102O6 TG QUWRGMOSPKXQJN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 30.3 84 100 196.25 7-08-18-2022-POS-Isaac-L04 996.79907:2333246 997.80242:2195798 998.80578:693259 53.03888:5061 55.05441:19772 57.07003:7049 58.66462:3749 60.02504:3328 65.03863:3721 66.51589:3403 67.05433:75442 69.06999:41014 71.08543:3763 75.28396:3039 77.69497:3417 79.05433:44058 81.06998:62096 81.83793:3027 83.08561:27882 85.06477:4951 85.10142:3419 91.05414:69254 93.06975:59461 95.04945:3421 95.08574:64546 97.06475:8211 97.10108:16392 105.06966:42432 107.08577:32737 108.99921:4288 109.10124:28599 111.08044:3388 111.1169:5280 117.07005:41082 119.08537:41090 121.10161:31996 123.11724:9778 124.56727:3677 129.06953:14369 131.08585:50859 133.10114:26733 135.11705:22299 137.1324:5653 140.27043:3286 143.08545:20394 145.10117:34739 147.11674:14660 147.89667:3092 149.13252:13723 153.12735:4475 155.08566:8159 157.10088:14712 158.49155:3497 159.1167:21169 161.09592:4847 161.13214:9284 163.14803:9030 169.10063:7006 171.11665:19904 172.16342:3375 173.13287:15174 175.14841:8174 181.10181:4915 183.11757:8488 185.13194:14034 187.14812:10240 189.12756:3307 189.16388:6689 197.13164:4275 199.14827:12456 201.16389:17501 203.17915:5758 211.14822:7817 213.16362:6714 215.17929:9927 223.14742:5416 225.16507:4539 227.17896:10695 237.16289:5453 265.1958:4273 265.25375:7095 288.42358:3377 293.22614:11419 311.23895:11034 313.25293:6489 339.28741:21325 387.28775:4577 649.51929:37482 651.53375:84904 652.26556:3872 675.53894:4849 697.52264:23774 703.073:4199 763.94061:3456 926.20203:4099 984.23383:3964 TG 62:13|TG 18:2_20:5_24:6 2541 20.423 994.78717 [M+NH4]+ 0.951 TRUE 13.91 994.78583 C65H100O6 TG NLKGDJSUTPILJB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 12.9 90 100 2382.36 17-08-18-2022-POS-Isaac-L13 994.7868:1447734 995.79015:1983987 996.79351:626086 52.55593:3072 53.03864:2854 55.05439:5867 64.95983:3480 67.05432:37783 69.06994:10056 76.828:3667 79.05439:24003 81.07:36768 83.08554:6665 86.49551:3099 88.37463:2942 90.93441:2895 91.05423:25866 93.06973:23921 95.08574:31988 99.45758:3420 105.01642:3043 105.0697:23570 107.08576:13834 109.10122:12556 109.58055:3095 117.06995:16690 119.0853:19054 119.97479:3550 121.10133:14178 123.11643:7599 125.8487:3846 127.72463:3545 129.06946:8113 131.0853:19257 133.10115:13344 134.10918:3037 135.1169:4230 141.0692:3877 143.08553:10158 145.1011:16120 147.11665:6835 149.13243:5467 157.10077:3434 159.11664:10637 161.13203:8294 171.11678:11532 173.13271:10620 175.88347:3252 183.11612:3636 185.13316:8107 187.14937:4686 199.14815:7379 201.16371:10283 211.14809:3663 213.16348:3940 213.36745:3605 217.01909:8918 217.03282:35552 221.9621:3169 239.15536:3154 295.08109:3096 303.8652:8306 337.27374:19580 576.54803:3637 605.93903:3477 621.48462:10126 647.49841:7036 649.52032:15967 675.53851:8209 680.37103:3729 697.52167:7651 722.90631:3519 992.05322:3895 TG 62:13|TG 18:2_22:5_22:6 2540 20.772 994.78326 [M+NH4]+ 0.976 TRUE 13.91 994.78583 C65H100O6 TG GCDGRCYQBMTTFW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 31.5 81.3 100 12020.74 38-08-18-2022-POS-Isaac-S14 994.78607:1185766 995.78942:1516096 996.79278:536300 52.04607:2916 62.84379:2906 66.73473:2969 67.0543:19361 69.06987:4999 79.05425:10219 79.66943:2849 81.07001:17665 83.08547:5655 91.05408:10616 93.06966:13076 95.08563:10655 97.96557:3108 101.57966:2986 102.12758:4081 104.84727:3029 105.0695:11148 107.08507:4007 109.10113:8152 117.06995:4521 119.0852:9552 121.10135:5606 123.11632:3185 129.6198:3144 131.08493:8422 133.10103:7235 133.40489:3702 145.10107:4608 147.11653:4886 155.41771:3138 155.42603:3275 159.1165:5453 161.1319:4358 169.10155:3691 183.11729:3321 190.71771:3510 204.25423:3205 215.18065:3147 230.13902:3369 303.89053:9741 304.02991:3573 350.08292:3591 437.76767:3829 617.75012:3143 633.67828:3430 647.49786:10374 649.51874:22707 697.51117:4305 796.39087:3513 949.87085:3868 TG 62:14|TG 18:2_22:6_22:6 2539 20.088 992.76935 [M+NH4]+ adduct linked to 2543_[M+Na]+ 0.976 TRUE 13.76 992.7702 C65H98O6 TG NVRVRYSEUZDNFH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCC=CCC=CCC=CCC=CCC=CCC=CCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.8 26.1 71 100 1185.07 26-08-18-2022-POS-Isaac-S03 992.76892:4255632 993.77227:6150110 994.77563:2257610 55.05439:10129 62.31213:2855 67.05433:42037 69.06994:9004 79.0543:24746 81.06996:38213 83.08554:10316 91.05421:27918 93.06974:28569 95.08574:26551 95.48815:3482 97.10115:4312 102.45422:3021 103.53938:3109 105.06965:16631 107.08565:15388 107.87952:2983 109.10123:11701 117.0699:14910 119.08541:17427 121.10146:12454 123.11716:10857 129.07025:8798 131.08577:18566 131.62894:3076 133.10117:17078 133.46127:2993 135.11691:10845 141.07011:3464 143.08553:12012 145.1012:9653 146.03549:3031 147.11665:7522 149.13245:6160 157.10077:10350 159.11665:10811 161.13203:8573 169.10052:5231 171.11678:9596 173.13271:7697 175.14828:4919 177.57339:3598 181.10039:4069 185.13182:7229 187.14799:3860 199.14815:3853 201.16373:4522 209.17413:3183 211.14809:3281 234.81395:3488 258.12363:3180 293.22595:4117 293.6496:3068 337.27429:7580 417.629:3501 447.84085:3546 460.60715:3287 502.42154:3153 518.99146:3422 543.18036:3326 600.99738:3154 647.49921:60938 653.94958:3277 683.24756:4072 695.4989:9587 764.72284:4499 785.24207:3598 814.81348:3716 TG O-50:1|TG O-17:0_16:0_17:1 2295 24.764 836.80688 [M+NH4]+ similar chromatogram in higher mz_2301; adduct linked to 2301_[M+Na]+ 0.488 TRUE 15.14 836.80658 C53H102O5 EtherTG DRANZMSGQOHECN-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 56.6 79.6 100 197.79 6-08-18-2022-POS-Isaac-L03 836.80695:980209 837.8103:798110 838.81366:214079 55.05443:8989 55.29445:3386 57.07007:19130 66.64947:2628 67.05438:4665 68.00099:2497 69.07007:18841 71.0855:16180 80.86626:2855 81.07002:6509 81.1767:3220 83.08557:22017 85.10101:9794 95.08528:4892 97.10119:19534 109.1013:4665 111.1169:10620 150.58604:2801 218.72131:7175 218.73521:11768 229.2406:2956 245.01456:3747 264.88544:3425 349.02753:3213 355.46106:2910 537.5238:6522 551.50537:16443 563.53815:71830 TG O-50:1|TG O-18:1_16:0_16:0 2301 24.766 841.76013 [M+Na]+ adduct linked to 2295_[M+NH4]+ 0.488 TRUE 15.14 841.7619 C53H102O5 EtherTG XBBSAJXNKNWKFB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 62.2 75 100 139.23 13-08-18-2022-POS-Isaac-L09 841.75983:566873 842.76318:431090 843.76654:111687 57.07003:4514 59.02176:2862 69.06997:7406 71.47047:2921 76.8031:2870 83.08517:4207 97.10119:3791 109.66131:3121 113.20373:2813 184.07365:6377 218.87415:21407 252.06172:2643 303.86536:4228 374.92908:3000 435.49579:2848 585.52466:4195 841.75964:71945 TG O-50:2|TG O-16:0_16:0_18:2 2290 23.854 834.78992 [M+NH4]+ 0.707 TRUE 14.93 834.79089 C53H100O5 EtherTG ZYLBHYALOKYHPW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 64.2 84.9 100 123.56 10-08-18-2022-POS-Isaac-L07 834.78986:1985515 835.79321:1761764 836.79657:539691 50.68726:2889 54.06818:3080 55.05443:4780 57.03374:58340 57.07005:127163 58.10165:2835 67.05437:9496 67.75423:3011 69.06967:6702 70.29296:2765 71.08546:126363 75.37135:3422 81.06962:12621 83.08519:8684 85.10104:85066 85.49258:2815 95.08523:16285 97.10121:5348 99.1167:11884 101.42227:3827 106.72389:2787 109.1013:8895 113.13266:5570 123.11724:4062 134.20354:2978 136.69382:3346 143.17294:2811 153.05415:3062 166.32822:3028 183.2653:2925 184.07373:17949 200.56786:2536 221.28142:12749 232.94978:2891 290.74612:3242 317.43118:2917 417.97308:3721 515.65057:3104 537.52399:125328 561.52594:93467 567.37769:3273 575.50256:34789 589.55353:4082 711.7384:3010 TG O-52:1|TG O-18:0_16:0_18:1 2339 25.904 864.83795 [M+NH4]+ 0.488 TRUE 15.66 864.83789 C55H106O5 EtherTG BJGHBVVNFOFKNW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.5 68.1 85.5 100 114.49 20-08-18-2022-POS-Isaac-L16 864.8374:556221 865.84075:420334 866.84411:139539 50.82659:2639 57.03367:10599 57.07004:20028 69.06962:3657 71.08539:28042 76.18821:2614 83.08553:3819 84.45565:2548 85.10113:18487 95.0852:3225 97.10113:3126 150.09511:2758 225.78099:2733 257.06046:2807 364.59442:2931 563.53735:4423 565.55414:26153 577.5152:8544 591.57159:26523 TG O-52:3|TG O-18:1_16:0_18:2 2333 23.758 860.80444 [M+NH4]+ similar chromatogram in higher mz_2377 0.585 TRUE 14.94 860.80658 C55H102O5 EtherTG UJOAHNHSAUWHQW-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 55.1 87.8 100 386.62 8-08-18-2022-POS-Isaac-L05 860.80444:2112522 861.80779:2193097 862.81115:714353 51.44295:2815 52.27242:2797 55.05443:10473 57.03372:4689 57.07005:18197 67.05437:6486 68.04737:2591 69.07007:21954 71.08554:15650 71.4157:2380 81.06963:11405 81.43763:2779 83.08526:20636 85.101:6378 86.09661:2702 90.76481:2827 93.0698:3359 95.08528:12357 97.10123:20781 103.90974:3082 104.55816:2553 109.1013:6877 111.1169:6499 111.83907:2635 120.31702:3025 121.10082:2929 123.11651:4563 125.13266:2681 155.44395:3009 163.51331:2882 164.32903:3227 223.8577:4051 229.32072:2839 248.36722:2947 332.59897:3166 344.33945:3126 364.79288:2808 384.2132:2812 443.42767:3051 561.52673:12962 563.53925:44216 575.50201:9745 587.53943:33663 860.79559:3288 TG O-52:4|TG O-18:2_16:0_18:2 2330 23.07 858.79132 [M+NH4]+ similar chromatogram in higher mz_2334 0.537 TRUE 14.76 858.79089 C55H100O5 EtherTG ZTZZHIGTIJYZBH-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COCCCCCCCCC=CCC=CCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 43.8 79.5 100 112.61 11-08-18-2022-POS-Isaac-L08 858.79095:645417 859.7943:587489 860.79766:181711 52.83791:2757 55.05443:6811 57.03372:6649 57.0701:21585 66.1017:2869 66.42658:2657 67.05408:10895 69.06967:8841 71.08549:16170 78.13503:2768 81.06975:17181 83.08519:11084 85.101:11187 85.44253:2677 95.0853:20222 97.10121:9703 101.86674:3072 109.10129:9995 111.1169:3686 121.10082:3828 123.11651:5143 128.0321:2692 152.03973:2905 164.57014:3316 173.84673:2889 212.50192:3085 218.63258:21484 241.00859:2952 246.5659:3334 405.38882:2718 561.52582:38319 575.50201:5746 585.52545:16266 587.53778:6905 599.50574:3244 692.82898:3260 TG O-54:3|TG O-18:0_18:1_18:2 2375 24.627 888.83582 [M+NH4]+ 0.512 TRUE 15.3 888.83789 C57H106O5 EtherTG SNSCEPRATRYHSL-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 63.9 85.4 100 192.4 8-08-18-2022-POS-Isaac-L05 888.83606:814520 889.83941:653183 890.84277:240163 53.66243:2839 55.05443:5566 57.03378:29408 57.07011:83406 67.05437:4979 67.15411:2414 69.0701:14892 71.08553:74202 81.07002:5980 83.08519:11113 85.10112:54068 95.08577:9013 97.10121:12166 99.11671:4287 101.42173:3941 107.08524:4400 109.1013:7205 113.13266:4179 125.1319:3414 141.60687:3485 169.1951:2827 216.40445:2969 219.4053:2940 225.33022:5245 253.57442:3144 255.62862:3077 260.75723:2783 405.48962:2959 522.88507:3130 587.53778:5975 589.55475:52188 591.57318:77356 601.52252:22927 603.52863:4221 TG O-54:4|TG O-19:2_17:0_18:2 2370 23.795 886.81934 [M+NH4]+ 0.537 TRUE 15.08 886.8222 C57H104O5 EtherTG HBNOLSZTUULTOO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COCCCCCCCCC=CCC=CCCCCCC)CCCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 22.1 80.5 100 218.38 19-08-18-2022-POS-Isaac-L15 886.82202:757157 887.82537:800049 888.82873:285539 52.62492:3202 53.35688:2712 55.05438:7326 57.0337:28012 57.07025:68545 67.05432:11365 69.06994:23742 69.60735:3054 71.08572:64187 79.05393:4184 81.07:20071 81.21827:3263 82.06527:4664 83.08558:22077 85.10139:46810 86.08497:2990 93.06972:6431 95.08575:17820 96.1497:3342 97.10107:16229 99.11662:5385 107.08575:4457 109.10121:12508 111.11681:8066 111.61076:2943 121.10143:7365 123.11641:7782 125.38465:2761 132.65631:2666 135.11688:4879 143.50352:2746 263.23599:5135 264.26834:281029 266.28384:3228 269.67947:3036 303.86517:7022 323.29422:3468 390.37424:7240 453.04428:3383 508.99606:3015 563.53748:23477 587.54498:4511 589.55383:107313 591.57141:3963 599.50702:20876 601.51953:12073 612.60815:64819 613.55316:21985 665.59302:3337 764.79077:4476 868.85236:22491 869.78503:3508 TG O-54:6|TG O-16:0_16:0_22:6 2365 23.044 882.78949 [M+NH4]+ 0.463 TRUE 14.77 882.79089 C57H100O5 EtherTG JDPSOHZKIVYDPB-UHFFFAOYSA-N O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.7 25.2 78.6 100 269.83 19-08-18-2022-POS-Isaac-L15 882.78876:1476309 883.79211:1924927 884.79547:598110 53.22052:3274 55.05438:6374 57.0337:22443 57.07001:78404 62.49656:2754 63.27824:2808 67.05439:15338 69.06993:10754 71.0854:65076 74.78389:3418 79.05389:13536 79.43107:3146 80.13301:2962 81.07:15740 83.08553:12138 85.10095:49475 90.88554:3160 91.0542:14659 93.06973:12963 95.0857:23312 97.10113:9305 105.01237:3106 105.06958:6332 107.08575:6871 109.10121:11958 117.07004:8216 119.08529:5270 121.10072:4688 123.11641:4610 131.08583:12182 133.10114:7269 135.11604:3703 140.0005:2907 145.10118:6216 157.10075:5277 159.11662:4490 171.11674:4149 173.13268:3443 183.2119:3200 187.14934:3177 189.97214:3326 199.14812:4466 203.17899:3093 223.09715:6037 240.269:7776 247.48689:3172 279.26822:3586 293.22592:4259 311.23575:4590 313.27353:5823 339.28824:8289 537.52417:57780 609.52576:11412 623.50208:8038 625.52197:65910 719.75519:3003 734.02991:3110 882.7478:3864 TG O-56:5|TG O-18:1_16:0_22:4 2424 23.901 912.83527 [M+NH4]+ 0.463 TRUE 15.16 912.83789 C59H106O5 EtherTG CRLSDYQYTWSFLO-UHFFFAOYSA-N O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC=CCC)COCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCCCCC 410 TRUE TRUE TRUE FALSE FALSE null null 100 99.6 33.4 81.8 100 2409.16 19-08-18-2022-POS-Isaac-L15 912.83777:852536 913.84112:886850 914.84448:255531 55.05455:13892 57.03367:13423 57.06998:41608 58.81683:3227 62.65972:2866 67.05432:7487 69.06993:28593 71.08541:35423 72.60268:2729 81.06995:11275 83.08554:32083 85.10101:27180 88.53896:3342 91.67058:3066 93.06973:4408 95.08558:19318 97.1011:29158 105.06958:4526 107.08515:3557 109.10121:9328 111.11681:10142 113.13192:3538 121.10144:6879 123.11641:5176 125.13255:3699 132.89941:2988 133.10114:4461 136.71088:4096 139.79887:2812 203.17899:6451 217.19421:4779 262.25296:9013 264.2684:10205 288.242:3792 297.25616:3667 315.26535:6726 354.86075:3053 563.53723:42211 612.60699:4114 613.55225:5981 615.57227:4626 617.58575:5170 627.53296:9674 639.56836:14833 653.54572:4201 664.3504:3613 765.34741:3667 862.57361:3463 METABOLITES_END #END