{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002070","ANALYSIS_ID":"AN003374","VERSION":"1","CREATED_ON":"January 31, 2022, 8:14 am"},

"PROJECT":{"PROJECT_TITLE":"Lipidomic Comparison of 2D and 3D Colon Cancer Cell Culture Models","PROJECT_TYPE":"Untargeted Lipidomics","PROJECT_SUMMARY":"Altered lipid metabolism is one of the hallmarks of cancer. Cellular proliferation and de novo synthesis of lipids are related to cancer progression. In this study, we evaluated the lipidomic profile of two-dimensional (2D) monolayer and multicellular tumor spheroids from the HCT 116 colon carcinoma cell line. We utilized serial trypsinization on the spheroid samples to generate three cellular populations representing the proliferative, quiescent, and necrotic regions of the spheroid. This analysis enabled a comprehensive identification and quantification of lipids produced in each of the spheroid layer and 2D cultures. We show that lipid subclasses associated with lipid droplets form in oxygen-restricted and acidic regions of spheroids and are produced at higher levels than in 2D cultures. Additionally, sphingolipid production, which is implicated in cell death and survival pathways, is higher in spheroids relative to 2D cells. Finally, we show that increased numbers of lipids comprised of polyunsaturated fatty acids (PUFAs) are produced in the quiescent and necrotic regions of the spheroid. The lipidomic signature for each region and cell culture type highlights the importance of understanding the spatial aspects of cancer biology. These results provide additional lipid biomarkers in the tumor microenvironment that can be further studied during potential therapeutic studies which target pivotal lipid production pathways.","INSTITUTE":"The Ohio State University","DEPARTMENT":"Department of Chemistry and Biochemistry","LABORATORY":"Amanda B Hummon Research Group","LAST_NAME":"Tobias","FIRST_NAME":"Fernando","ADDRESS":"100 W 18th Avenue, Columbus, Ohio, 43210, USA","EMAIL":"tobias.62@osu.edu","PHONE":"1234567890"},

"STUDY":{"STUDY_TITLE":"Lipidomic Comparison of 2D and 3D Colon Cancer Cell Culture Models","STUDY_TYPE":"Untargeted Lipidomics","STUDY_SUMMARY":"Altered lipid metabolism is one of the hallmarks of cancer. Cellular proliferation and de novo synthesis of lipids are related to cancer progression. In this study, we evaluated the lipidomic profile of two-dimensional (2D) monolayer and multicellular tumor spheroids from the HCT 116 colon carcinoma cell line. We utilized serial trypsinization on the spheroid samples to generate three cellular populations representing the proliferative, quiescent, and necrotic regions of the spheroid. This analysis enabled a comprehensive identification and quantification of lipids produced in each of the spheroid layer and 2D cultures. We show that lipid subclasses associated with lipid droplets form in oxygen-restricted and acidic regions of spheroids and are produced at higher levels than in 2D cultures. Additionally, sphingolipid production, which is implicated in cell death and survival pathways, is higher in spheroids relative to 2D cells. Finally, we show that increased numbers of lipids comprised of polyunsaturated fatty acids (PUFAs) are produced in the quiescent and necrotic regions of the spheroid. The lipidomic signature for each region and cell culture type highlights the importance of understanding the spatial aspects of cancer biology. These results provide additional lipid biomarkers in the tumor microenvironment that can be further studied during potential therapeutic studies which target pivotal lipid production pathways.","INSTITUTE":"The Ohio State University","LAST_NAME":"Tobias","FIRST_NAME":"Fernando","ADDRESS":"100 W 18th Avenue, Columbus, Ohio, 43210, USA","EMAIL":"tobias.62@osu.edu","PHONE":"12345678907"},

"SUBJECT":{"SUBJECT_TYPE":"Cultured cells","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606","GENDER":"Male","CELL_STRAIN_DETAILS":"HCT 116","SUBJECT_COMMENTS":"HCT 116 cell line was cultured as a 2D monolayer and 3D spheroids"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"2 QC10",
"Factors":{"GROUP":"QC1","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 10","REP":"QC","RAW_FILE_NAME":"2 QC10"}
},
{
"Subject ID":"-",
"Sample ID":"3 QC20",
"Factors":{"GROUP":"QC2","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 20","REP":"QC","RAW_FILE_NAME":"3 QC20"}
},
{
"Subject ID":"-",
"Sample ID":"4 QC40",
"Factors":{"GROUP":"QC3","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 40","REP":"QC","RAW_FILE_NAME":"4 QC40"}
},
{
"Subject ID":"-",
"Sample ID":"5 2D1",
"Factors":{"GROUP":"2D1","TYPE":"2D"},
"Additional sample data":{"FILE":"2D1","REP":"1","RAW_FILE_NAME":"5 2D1"}
},
{
"Subject ID":"-",
"Sample ID":"6 P1O",
"Factors":{"GROUP":"Outer1_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1O","REP":"1","RAW_FILE_NAME":"6 P1O"}
},
{
"Subject ID":"-",
"Sample ID":"7 P1M",
"Factors":{"GROUP":"Middle1_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1M","REP":"1","RAW_FILE_NAME":"7 P1M"}
},
{
"Subject ID":"-",
"Sample ID":"8 P1C",
"Factors":{"GROUP":"Core1_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1C","REP":"1","RAW_FILE_NAME":"8 P1C"}
},
{
"Subject ID":"-",
"Sample ID":"9 2D2",
"Factors":{"GROUP":"2D2_1","TYPE":"2D"},
"Additional sample data":{"FILE":"2D2","REP":"2","RAW_FILE_NAME":"9 2D2"}
},
{
"Subject ID":"-",
"Sample ID":"10 P2O",
"Factors":{"GROUP":"Outer2_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2O","REP":"2","RAW_FILE_NAME":"10 P2O"}
},
{
"Subject ID":"-",
"Sample ID":"11 P2M",
"Factors":{"GROUP":"Middle2_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2M","REP":"2","RAW_FILE_NAME":"11 P2M"}
},
{
"Subject ID":"-",
"Sample ID":"12 P2C",
"Factors":{"GROUP":"Core2_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2C","REP":"2","RAW_FILE_NAME":"12 P2C"}
},
{
"Subject ID":"-",
"Sample ID":"13 QC10",
"Factors":{"GROUP":"QC4","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 10","REP":"QC","RAW_FILE_NAME":"13 QC10"}
},
{
"Subject ID":"-",
"Sample ID":"14 2D3",
"Factors":{"GROUP":"2D3_1","TYPE":"2D"},
"Additional sample data":{"FILE":"2D3","REP":"3","RAW_FILE_NAME":"14 2D3"}
},
{
"Subject ID":"-",
"Sample ID":"15 P3O",
"Factors":{"GROUP":"Outer3_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3O","REP":"3","RAW_FILE_NAME":"15 P3O"}
},
{
"Subject ID":"-",
"Sample ID":"16 P3M",
"Factors":{"GROUP":"Middle3_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3M","REP":"3","RAW_FILE_NAME":"16 P3M"}
},
{
"Subject ID":"-",
"Sample ID":"17 P3C",
"Factors":{"GROUP":"Core3_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3C","REP":"3","RAW_FILE_NAME":"17 P3C"}
},
{
"Subject ID":"-",
"Sample ID":"18 2D4",
"Factors":{"GROUP":"2D4_1","TYPE":"2D"},
"Additional sample data":{"FILE":"2D4","REP":"4","RAW_FILE_NAME":"18 2D4"}
},
{
"Subject ID":"-",
"Sample ID":"19 P4O",
"Factors":{"GROUP":"Outer4_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4O","REP":"4","RAW_FILE_NAME":"19 P4O"}
},
{
"Subject ID":"-",
"Sample ID":"20 P4M",
"Factors":{"GROUP":"Middle4_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4M","REP":"4","RAW_FILE_NAME":"20 P4M"}
},
{
"Subject ID":"-",
"Sample ID":"21 P4C",
"Factors":{"GROUP":"Core4_1","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4C","REP":"4","RAW_FILE_NAME":"21 P4C"}
},
{
"Subject ID":"-",
"Sample ID":"22 QC20",
"Factors":{"GROUP":"QC5","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 20","REP":"QC","RAW_FILE_NAME":"22 QC20"}
},
{
"Subject ID":"-",
"Sample ID":"23 2D1",
"Factors":{"GROUP":"2D1_2","TYPE":"2D"},
"Additional sample data":{"FILE":"2D1","REP":"1","RAW_FILE_NAME":"23 2D1"}
},
{
"Subject ID":"-",
"Sample ID":"24 P1O",
"Factors":{"GROUP":"Outer_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1O","REP":"1","RAW_FILE_NAME":"24 P1O"}
},
{
"Subject ID":"-",
"Sample ID":"25 P1M",
"Factors":{"GROUP":"Middle1_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1M","REP":"1","RAW_FILE_NAME":"25 P1M"}
},
{
"Subject ID":"-",
"Sample ID":"26 P1C",
"Factors":{"GROUP":"Core_1_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1C","REP":"1","RAW_FILE_NAME":"26 P1C"}
},
{
"Subject ID":"-",
"Sample ID":"27 2D2",
"Factors":{"GROUP":"2D_2_2","TYPE":"2D"},
"Additional sample data":{"FILE":"2D2","REP":"2","RAW_FILE_NAME":"27 2D2"}
},
{
"Subject ID":"-",
"Sample ID":"28 P2O",
"Factors":{"GROUP":"Outer2_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2O","REP":"2","RAW_FILE_NAME":"28 P2O"}
},
{
"Subject ID":"-",
"Sample ID":"29 P2M",
"Factors":{"GROUP":"Middle2_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2M","REP":"2","RAW_FILE_NAME":"29 P2M"}
},
{
"Subject ID":"-",
"Sample ID":"30 P2C",
"Factors":{"GROUP":"Core2_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2C","REP":"2","RAW_FILE_NAME":"30 P2C"}
},
{
"Subject ID":"-",
"Sample ID":"31 QC40",
"Factors":{"GROUP":"QC6","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 40","REP":"QC","RAW_FILE_NAME":"31 QC40"}
},
{
"Subject ID":"-",
"Sample ID":"32 2D3",
"Factors":{"GROUP":"2D3_2","TYPE":"2D"},
"Additional sample data":{"FILE":"2D3","REP":"3","RAW_FILE_NAME":"32 2D3"}
},
{
"Subject ID":"-",
"Sample ID":"33 P3O",
"Factors":{"GROUP":"Outer3_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3O","REP":"3","RAW_FILE_NAME":"33 P3O"}
},
{
"Subject ID":"-",
"Sample ID":"34 P3M",
"Factors":{"GROUP":"Middle3_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3M","REP":"3","RAW_FILE_NAME":"34 P3M"}
},
{
"Subject ID":"-",
"Sample ID":"35 P3C",
"Factors":{"GROUP":"Core3_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3C","REP":"3","RAW_FILE_NAME":"35 P3C"}
},
{
"Subject ID":"-",
"Sample ID":"36 2D4",
"Factors":{"GROUP":"2D4_2","TYPE":"2D"},
"Additional sample data":{"FILE":"2D4","REP":"4","RAW_FILE_NAME":"36 2D4"}
},
{
"Subject ID":"-",
"Sample ID":"37 P4O",
"Factors":{"GROUP":"Outer4_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4O","REP":"4","RAW_FILE_NAME":"37 P4O"}
},
{
"Subject ID":"-",
"Sample ID":"38 P4M",
"Factors":{"GROUP":"Middle4_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4M","REP":"4","RAW_FILE_NAME":"38 P4M"}
},
{
"Subject ID":"-",
"Sample ID":"39 P4C",
"Factors":{"GROUP":"Core4_2","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4C","REP":"4","RAW_FILE_NAME":"39 P4C"}
},
{
"Subject ID":"-",
"Sample ID":"40 QC20",
"Factors":{"GROUP":"QC7","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 20","REP":"QC","RAW_FILE_NAME":"40 QC20"}
},
{
"Subject ID":"-",
"Sample ID":"41 2D1",
"Factors":{"GROUP":"2D1_3","TYPE":"2D"},
"Additional sample data":{"FILE":"2D1","REP":"1","RAW_FILE_NAME":"41 2D1"}
},
{
"Subject ID":"-",
"Sample ID":"42 P1O",
"Factors":{"GROUP":"Outer1_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1O","REP":"1","RAW_FILE_NAME":"42 P1O"}
},
{
"Subject ID":"-",
"Sample ID":"43 P1M",
"Factors":{"GROUP":"Middle1_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1M","REP":"1","RAW_FILE_NAME":"43 P1M"}
},
{
"Subject ID":"-",
"Sample ID":"44 P1C",
"Factors":{"GROUP":"Core1_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P1C","REP":"1","RAW_FILE_NAME":"44 P1C"}
},
{
"Subject ID":"-",
"Sample ID":"45 2D2",
"Factors":{"GROUP":"2D2_3","TYPE":"2D"},
"Additional sample data":{"FILE":"2D2","REP":"2","RAW_FILE_NAME":"45 2D2"}
},
{
"Subject ID":"-",
"Sample ID":"46 P2O",
"Factors":{"GROUP":"Outer2_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2O","REP":"2","RAW_FILE_NAME":"46 P2O"}
},
{
"Subject ID":"-",
"Sample ID":"47 P2M",
"Factors":{"GROUP":"Middle2_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2M","REP":"2","RAW_FILE_NAME":"47 P2M"}
},
{
"Subject ID":"-",
"Sample ID":"48 P2C",
"Factors":{"GROUP":"Core2_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P2C","REP":"2","RAW_FILE_NAME":"48 P2C"}
},
{
"Subject ID":"-",
"Sample ID":"49 QC40",
"Factors":{"GROUP":"QC8","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 40","REP":"QC","RAW_FILE_NAME":"49 QC40"}
},
{
"Subject ID":"-",
"Sample ID":"50 2D3",
"Factors":{"GROUP":"2D3_3","TYPE":"2D"},
"Additional sample data":{"FILE":"2D3","REP":"3","RAW_FILE_NAME":"50 2D3"}
},
{
"Subject ID":"-",
"Sample ID":"51 P3O",
"Factors":{"GROUP":"Outer3_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3O","REP":"3","RAW_FILE_NAME":"51 P3O"}
},
{
"Subject ID":"-",
"Sample ID":"52 P3M",
"Factors":{"GROUP":"Middle3_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3M","REP":"3","RAW_FILE_NAME":"52 P3M"}
},
{
"Subject ID":"-",
"Sample ID":"53 P3C",
"Factors":{"GROUP":"Core3_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P3C","REP":"3","RAW_FILE_NAME":"53 P3C"}
},
{
"Subject ID":"-",
"Sample ID":"54 2D4",
"Factors":{"GROUP":"2D4_3","TYPE":"2D"},
"Additional sample data":{"FILE":"2D4","REP":"4","RAW_FILE_NAME":"54 2D4"}
},
{
"Subject ID":"-",
"Sample ID":"55 P4O",
"Factors":{"GROUP":"Outer4_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4O","REP":"4","RAW_FILE_NAME":"55 P4O"}
},
{
"Subject ID":"-",
"Sample ID":"56 P4M",
"Factors":{"GROUP":"Middle4_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4M","REP":"4","RAW_FILE_NAME":"56 P4M"}
},
{
"Subject ID":"-",
"Sample ID":"57 P4C",
"Factors":{"GROUP":"Core4_3","TYPE":"SPHEROID"},
"Additional sample data":{"FILE":"P4C","REP":"4","RAW_FILE_NAME":"57 P4C"}
},
{
"Subject ID":"-",
"Sample ID":"58 QC10",
"Factors":{"GROUP":"QC9","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 10","REP":"QC","RAW_FILE_NAME":"58 QC10"}
},
{
"Subject ID":"-",
"Sample ID":"59 QC20",
"Factors":{"GROUP":"QC10","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 20","REP":"QC","RAW_FILE_NAME":"59 QC20"}
},
{
"Subject ID":"-",
"Sample ID":"60 QC40",
"Factors":{"GROUP":"QC11","TYPE":"QC"},
"Additional sample data":{"FILE":"QC 40","REP":"QC","RAW_FILE_NAME":"60 QC40"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Cell Lysates from 2D Monolayers and serially-trypsinized spheroids was subjected to lipid extraction","SAMPLE_TYPE":"Cultured cells","STORAGE_CONDITIONS":"-80℃","COLLECTION_TUBE_TEMP":"4","ADDITIVES":"1X PBS"},

"TREATMENT":{"TREATMENT_SUMMARY":"HCT 116 2D monolayers were cultured per ATCC protocol, while HCT 116 3D spheroids were cultured for 14 days. At Day 14, the spheroids were subjected to Serial Trypsinization in order to obtain discrete cell populations from spheroids representing the outer, middle, and core regions."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Lipid extraction by MTBE/methanol/water solvent system","PROCESSING_STORAGE_CONDITIONS":"On ice","EXTRACTION_METHOD":"liquid-liquid extraction","EXTRACT_STORAGE":"-80℃","SAMPLE_RESUSPENSION":"9:1 Methanol/Toluene","SAMPLE_SPIKING":"equiSPLASH LIPIDOMIX standards"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent 1260","COLUMN_NAME":"Thermo Accucore C30 (100 x 2.1 mm, 2.6 um)","FLOW_RATE":"400uL/min","COLUMN_TEMPERATURE":"50","SOLVENT_A":"50/50 Water/Acetonitrile, 10 mM Ammonium Formate","SOLVENT_B":"90/10 Isopronanol/Acetonitrile, 10 mM Ammonium Formate","INJECTION_TEMPERATURE":"4","INTERNAL_STANDARD":"equiSPLASH LIPIDOMIX","SAMPLE_INJECTION":"2"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Campus Chemical Instrument Center","OPERATOR_NAME":"Fernando Tobias","DETECTOR_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Agilent 6545 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"MS-Only on biological samples, Auto-MSMS on Pooled Sample"},

"MS_METABOLITE_DATA":{
"Units":"pmol lipid/ ug protein",

"Data":[{"Metabolite":"CAR 14:0","2 QC10":"0.00407068","3 QC20":"0.004242992","4 QC40":"0.004511693","13 QC10":"0.004894209","22 QC20":"0.004826345","31 QC40":"0.00554814","40 QC20":"0.00564248","49 QC40":"0.005947751","58 QC10":"0.006392284","59 QC20":"0.006421624","60 QC40":"0.006837734","5 2D1":"0.000528533","23 2D1":"0.000781654","41 2D1":"0.000839805","9 2D2":"0.001043333","27 2D2":"0.001283278","45 2D2":"0.001510625","14 2D3":"0.000624854","32 2D3":"0.000733266","50 2D3":"0.00083357","18 2D4":"0.000563979","36 2D4":"0.000677207","54 2D4":"0.000782681","6 P1O":"0.000563275","24 P1O":"0.000661341","42 P1O":"0.000779056","10 P2O":"0.00478819","28 P2O":"0.005465019","46 P2O":"0.006594706","15 P3O":"0.000624545","33 P3O":"0.000746029","51 P3O":"0.000806007","19 P4O":"0.002001166","37 P4O":"0.002532034","55 P4O":"0.002899676","7 P1M":"0.001373034","25 P1M":"0.00166315","43 P1M":"0.001979218","11 P2M":"0.001697958","29 P2M":"0.002009224","47 P2M":"0.002347286","16 P3M":"0.001680069","34 P3M":"0.001969588","52 P3M":"0.00226383","20 P4M":"0.002789582","38 P4M":"0.003856086","56 P4M":"0.004391359","8 P1C":"0.002556362","26 P1C":"0.003163099","44 P1C":"0.004162317","12 P2C":"0.01574324","30 P2C":"0.01825429","48 P2C":"0.02109401","17 P3C":"0.02322169","35 P3C":"0.02593408","53 P3C":"0.03030277","21 P4C":"0.002171799","39 P4C":"0.002734489","57 P4C":"0.003142706"},{"Metabolite":"CAR 16:1","2 QC10":"0.002290036","3 QC20":"0.002102079","4 QC40":"0.002195616","13 QC10":"0.002577066","22 QC20":"0.002618134","31 QC40":"0.002370514","40 QC20":"0.002486948","49 QC40":"0.002785904","58 QC10":"0.002951758","59 QC20":"0.002918956","60 QC40":"0.00303029","5 2D1":"0.000580857","23 2D1":"0.000625612","41 2D1":"0.000651673","9 2D2":"0.000653794","27 2D2":"0.00068194","45 2D2":"0.000741322","14 2D3":"0.000458406","32 2D3":"0.000479826","50 2D3":"0.000507188","18 2D4":"0.000250223","36 2D4":"0.000265957","54 2D4":"0.000265242","6 P1O":"0.000243249","24 P1O":"0.000270393","42 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P1M":"0.01616365","11 P2M":"0.01731208","29 P2M":"0.01692772","47 P2M":"0.01675159","16 P3M":"0.01758236","34 P3M":"0.01676119","52 P3M":"0.01660092","20 P4M":"0.01808423","38 P4M":"0.01816726","56 P4M":"0.01817095","8 P1C":"0.00972609","26 P1C":"0.008986148","44 P1C":"0.01017981","12 P2C":"0.01093615","30 P2C":"0.01069303","48 P2C":"0.01114391","17 P3C":"0.01198446","35 P3C":"0.01151647","53 P3C":"0.01108697","21 P4C":"0.01329277","39 P4C":"0.01367198","57 P4C":"0.01475039"},{"Metabolite":"TG 62:1","2 QC10":"0.007229016","3 QC20":"0.006959307","4 QC40":"0.007932209","13 QC10":"0.008910988","22 QC20":"0.007370867","31 QC40":"0.007556745","40 QC20":"0.008975933","49 QC40":"0.007197732","58 QC10":"0.008288399","59 QC20":"0.009393979","60 QC40":"0.007280802","5 2D1":"0.000569915","23 2D1":"0.000611459","41 2D1":"0.000590183","9 2D2":"0.001096063","27 2D2":"0.001107324","45 2D2":"0.00107193","14 2D3":"0.000724271","32 2D3":"0.000679919","50 2D3":"0.000708577","18 2D4":"0.000674073","36 2D4":"0.000672224","54 2D4":"0.000644578","6 P1O":"0.003883361","24 P1O":"0.004012607","42 P1O":"0.00397757","10 P2O":"0.003534728","28 P2O":"0.003347749","46 P2O":"0.003318551","15 P3O":"0.002747577","33 P3O":"0.002680972","51 P3O":"0.002618775","19 P4O":"0.004641623","37 P4O":"0.0048465","55 P4O":"0.004939096","7 P1M":"0.009849599","25 P1M":"0.009969672","43 P1M":"0.01044322","11 P2M":"0.01093597","29 P2M":"0.01029301","47 P2M":"0.010577","16 P3M":"0.01033891","34 P3M":"0.01063645","52 P3M":"0.01071021","20 P4M":"0.01098205","38 P4M":"0.01138461","56 P4M":"0.01099922","8 P1C":"0.005262903","26 P1C":"0.004783183","44 P1C":"0.005275218","12 P2C":"0.005991381","30 P2C":"0.006236754","48 P2C":"0.006319657","17 P3C":"0.006907706","35 P3C":"0.00694957","53 P3C":"0.006603657","21 P4C":"0.007600838","39 P4C":"0.007900586","57 P4C":"0.008190148"},{"Metabolite":"TG 64:3","2 QC10":"0.003141442","3 QC20":"0.00288705","4 QC40":"0.00303186","13 QC10":"0.003507954","22 QC20":"0.002881494","31 QC40":"0.003557821","40 QC20":"0.004000998","49 QC40":"0.003611239","58 QC10":"0.003564467","59 QC20":"0.003540496","60 QC40":"0.003559398","5 2D1":"0.000164562","23 2D1":"0.00016099","41 2D1":"0.000133711","9 2D2":"0.000342988","27 2D2":"0.000357999","45 2D2":"0.000339395","14 2D3":"0.000200652","32 2D3":"0.00019468","50 2D3":"0.000189441","18 2D4":"0.000163153","36 2D4":"0.000174861","54 2D4":"0.000169552","6 P1O":"0.001445303","24 P1O":"0.001405449","42 P1O":"0.001437401","10 P2O":"0.001196538","28 P2O":"0.001179166","46 P2O":"0.001163417","15 P3O":"0.000839653","33 P3O":"0.000847356","51 P3O":"0.00079258","19 P4O":"0.001969743","37 P4O":"0.001986871","55 P4O":"0.001935759","7 P1M":"0.004546328","25 P1M":"0.004631785","43 P1M":"0.004706691","11 P2M":"0.005183674","29 P2M":"0.005019632","47 P2M":"0.004867639","16 P3M":"0.004787946","34 P3M":"0.004802001","52 P3M":"0.004684252","20 P4M":"0.005402369","38 P4M":"0.005395417","56 P4M":"0.005033529","8 P1C":"0.002265313","26 P1C":"0.00204177","44 P1C":"0.002323567","12 P2C":"0.002730721","30 P2C":"0.00275552","48 P2C":"0.002829968","17 P3C":"0.00299779","35 P3C":"0.003041523","53 P3C":"0.002861405","21 P4C":"0.003578213","39 P4C":"0.003634786","57 P4C":"0.004084346"},{"Metabolite":"TG 64:2","2 QC10":"0.002852704","3 QC20":"0.002638556","4 QC40":"0.002860556","13 QC10":"0.003289907","22 QC20":"0.002803907","31 QC40":"0.003267249","40 QC20":"0.003337797","49 QC40":"0.003264102","58 QC10":"0.003008096","59 QC20":"0.003076474","60 QC40":"0.002871296","5 2D1":"0.00020917","23 2D1":"0.000219952","41 2D1":"0.000221703","9 2D2":"0.000416087","27 2D2":"0.000436647","45 2D2":"0.000408454","14 2D3":"0.000257662","32 2D3":"0.000246422","50 2D3":"0.00025977","18 2D4":"0.000222785","36 2D4":"0.000256726","54 2D4":"0.000226559","6 P1O":"0.001242294","24 P1O":"0.001235327","42 P1O":"0.001262627","10 P2O":"0.001028969","28 P2O":"0.001014681","46 P2O":"0.001044689","15 P3O":"0.000805013","33 P3O":"0.000785528","51 P3O":"0.00076589","19 P4O":"0.001640515","37 P4O":"0.001658523","55 P4O":"0.001650829","7 P1M":"0.003622727","25 P1M":"0.003733366","43 P1M":"0.003764199","11 P2M":"0.004200876","29 P2M":"0.004089537","47 P2M":"0.004036584","16 P3M":"0.004002113","34 P3M":"0.003915699","52 P3M":"0.00369226","20 P4M":"0.00418315","38 P4M":"0.004426436","56 P4M":"0.004084264","8 P1C":"0.001828965","26 P1C":"0.001705813","44 P1C":"0.001880659","12 P2C":"0.002215736","30 P2C":"0.002184605","48 P2C":"0.002206897","17 P3C":"0.002414657","35 P3C":"0.002438582","53 P3C":"0.002359652","21 P4C":"0.00275634","39 P4C":"0.00282004","57 P4C":"0.003204607"},{"Metabolite":"TG 64:1","2 QC10":"0.001408065","3 QC20":"0.001232125","4 QC40":"0.001393898","13 QC10":"0.001643243","22 QC20":"0.001455844","31 QC40":"0.001453351","40 QC20":"0.001581934","49 QC40":"0.00144629","58 QC10":"0.001516699","59 QC20":"0.001564683","60 QC40":"0.001351178","5 2D1":"0.000117161","23 2D1":"0.000110211","41 2D1":"0.000126687","9 2D2":"0.000236486","27 2D2":"0.000232011","45 2D2":"0.000234803","14 2D3":"0.000137172","32 2D3":"0.000138763","50 2D3":"0.000137288","18 2D4":"0.000118685","36 2D4":"0.0001291","54 2D4":"0.000132211","6 P1O":"0.000607492","24 P1O":"0.000656405","42 P1O":"0.000683253","10 P2O":"0.0005798","28 P2O":"0.000552191","46 P2O":"0.000553282","15 P3O":"0.000472365","33 P3O":"0.000461432","51 P3O":"0.000488742","19 P4O":"0.000717301","37 P4O":"0.000780127","55 P4O":"0.000784964","7 P1M":"0.001651874","25 P1M":"0.001645619","43 P1M":"0.001615385","11 P2M":"0.00192655","29 P2M":"0.001812352","47 P2M":"0.001759778","16 P3M":"0.001793129","34 P3M":"0.001827731","52 P3M":"0.001608428","20 P4M":"0.001899385","38 P4M":"0.001859734","56 P4M":"0.001751872","8 P1C":"0.000899936","26 P1C":"0.000785491","44 P1C":"0.000836614","12 P2C":"0.000991668","30 P2C":"0.001014188","48 P2C":"0.000963483","17 P3C":"0.001107008","35 P3C":"0.001159822","53 P3C":"0.001080521","21 P4C":"0.001151803","39 P4C":"0.001263372","57 P4C":"0.001332405"},{"Metabolite":"TG 66:2","2 QC10":"0.001290575","3 QC20":"0.001292732","4 QC40":"0.001345013","13 QC10":"0.00161","22 QC20":"0.001408668","31 QC40":"0.001583489","40 QC20":"0.001723135","49 QC40":"0.001504903","58 QC10":"0.001552811","59 QC20":"0.001583717","60 QC40":"0.00142487","5 2D1":"8.79E-05","23 2D1":"9.28E-05","41 2D1":"9.29E-05","9 2D2":"0.000191551","27 2D2":"0.000187225","45 2D2":"0.000180932","14 2D3":"0.000104826","32 2D3":"8.98E-05","50 2D3":"7.36E-05","18 2D4":"8.99E-05","36 2D4":"0.000100841","54 2D4":"0.000100232","6 P1O":"0.000599865","24 P1O":"0.000594513","42 P1O":"0.000597772","10 P2O":"0.000559788","28 P2O":"0.000386497","46 P2O":"0.000522582","15 P3O":"0.000367332","33 P3O":"0.000352403","51 P3O":"0.000352439","19 P4O":"0.000732205","37 P4O":"0.000723841","55 P4O":"0.000770023","7 P1M":"0.00175901","25 P1M":"0.001846569","43 P1M":"0.001788253","11 P2M":"0.001956824","29 P2M":"0.002000579","47 P2M":"0.001946696","16 P3M":"0.001958763","34 P3M":"0.00181911","52 P3M":"0.001790034","20 P4M":"0.002065111","38 P4M":"0.002118409","56 P4M":"0.001997293","8 P1C":"0.000910149","26 P1C":"0.000836246","44 P1C":"0.000928768","12 P2C":"0.001044394","30 P2C":"0.001103024","48 P2C":"0.001101778","17 P3C":"0.001181111","35 P3C":"0.001191651","53 P3C":"0.001091346","21 P4C":"0.001385715","39 P4C":"0.001461896","57 P4C":"0.001486055"}],

"Metabolites":[{"Metabolite":"CAR 14:0","Average Rt(min)":"1.564","Average Mz":"372.31128","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"5.58","Reference m/z":"372.31079","Formula":"C21H41NO4","Ontology":"CAR","INCHIKEY":"PSHXNVGSVNEJBD-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 16:1","Average Rt(min)":"1.807","Average Mz":"398.32797","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"5.52","Reference m/z":"398.32651","Formula":"C23H43NO4","Ontology":"CAR","INCHIKEY":"JFAGPSOZZSTLRF-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCC=CCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 16:0","Average Rt(min)":"2.65","Average Mz":"400.34381","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 4438_[M+Na]+; similar chromatogram in higher mz_4918","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.08","Reference m/z":"400.3421","Formula":"C23H45NO4","Ontology":"CAR","INCHIKEY":"XOMRRQXKHMYMOC-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 18:1","Average Rt(min)":"2.989","Average Mz":"426.35922","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.25","Reference m/z":"426.35779","Formula":"C25H47NO4","Ontology":"CAR","INCHIKEY":"IPOLTUVFXFHAHI-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCC=CCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 18:0","Average Rt(min)":"4.203","Average Mz":"428.37405","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_6485","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.69","Reference m/z":"428.37341","Formula":"C25H49NO4","Ontology":"CAR","INCHIKEY":"FNPHNLNTJNMAEE-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 20:1","Average Rt(min)":"4.442","Average Mz":"454.3909","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.74","Reference m/z":"454.3891","Formula":"C27H51NO4","Ontology":"CAR","INCHIKEY":"PVOQPLSKYNZHOT-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCC=CCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 22:0","Average Rt(min)":"7.743","Average Mz":"484.43765","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_6031","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"7.82","Reference m/z":"484.436","Formula":"C29H57NO4","Ontology":"CAR","INCHIKEY":"IUMXSSOVGPXXJL-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 24:1","Average Rt(min)":"7.782","Average Mz":"510.45236","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"8.03","Reference m/z":"510.45169","Formula":"C31H59NO4","Ontology":"CAR","INCHIKEY":"KRKDKJNWLQGJLG-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"CAR 24:0","Average Rt(min)":"9.88","Average Mz":"512.46881","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_9024","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"8.22","Reference m/z":"512.46729","Formula":"C31H61NO4","Ontology":"CAR","INCHIKEY":"YDUFZFUYBBPVLJ-UHFFFAOYSA-N","SMILES":"O=C([O-])CC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)C[N+](C)(C)C"},{"Metabolite":"Cer 42:1;3O","Average Rt(min)":"19.377","Average Mz":"648.63153","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 7549; adduct linked to 8311_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.97","Reference m/z":"648.62891","Formula":"C42H83NO4","Ontology":"Cer_HS","INCHIKEY":"WAYLDHLWVYQNSQ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"Cer 34:0;2O","Average Rt(min)":"15.014","Average Mz":"540.53784","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 5962_[M+H-H2O]+; adduct linked to 6397_[M+Na]+; similar chromatogram in higher mz_10587","Fill %":"0.583","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"540.53497","Formula":"C34H69NO3","Ontology":"Cer_NDS","INCHIKEY":"GCGTXOVNNFGTPQ-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"Cer 34:1;2O","Average Rt(min)":"14.358","Average Mz":"538.52478","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 5936_[M+H-H2O]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.38","Reference m/z":"538.51941","Formula":"C34H67NO3","Ontology":"Cer_NS","INCHIKEY":"YDNKGFDKKRUKPY-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"Cer 40:1;2O","Average Rt(min)":"19.492","Average Mz":"622.61646","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 6931_[M+H-H2O]+; adduct linked to 7761_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.02","Reference m/z":"622.61328","Formula":"C40H79NO3","Ontology":"Cer_NS","INCHIKEY":"KEPQASGDXIEOIL-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"Cer 42:2;2O","Average Rt(min)":"19.858","Average Mz":"630.61902","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 7970_[M+H]+; adduct linked to 8309_[M+Na]+; similar chromatogram in higher mz_8892","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.06","Reference m/z":"630.61841","Formula":"C42H81NO3","Ontology":"Cer_NS","INCHIKEY":"ZCUCZYYSYGKQQV-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"Cer 42:1;2O","Average Rt(min)":"20.904","Average Mz":"632.63715","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8011_[M+H]+; adduct linked to 8323_[M+Na]+; adduct linked to 7119_[M+H-H2O]+","Fill %":"0.75","MS/MS assigned":"TRUE","Reference RT":"13.26","Reference m/z":"632.63397","Formula":"C42H83NO3","Ontology":"Cer_NS","INCHIKEY":"ZJVVOYPTFQEGPH-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"Cer 51:8;2O","Average Rt(min)":"18.263","Average Mz":"784.66632","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 11957","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.04","Reference m/z":"784.65778","Formula":"C51H87NO3","Ontology":"Cer_NS","INCHIKEY":"XKKCNLXSWIJLCG-UHFFFAOYSA-N","SMILES":"O=C(NC(CO)C(O)C=CCCC=CCCCCCCCC)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"DG 30:6","Average Rt(min)":"3.185","Average Mz":"551.38251","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 5861_[M+H-H2O]+; adduct linked to 6050_[M+H]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"7.7","Reference m/z":"551.37073","Formula":"C33H52O5","Ontology":"DG","INCHIKEY":"PWMYYBPVKIRNSF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCC"},{"Metabolite":"DG 36:2","Average Rt(min)":"17.838","Average Mz":"638.57294","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 7743_[M+Na]+; similar chromatogram in higher mz_10358","Fill %":"0.367","MS/MS assigned":"TRUE","Reference RT":"12.14","Reference m/z":"638.57178","Formula":"C39H72O5","Ontology":"DG","INCHIKEY":"AFSHUZFNMVJNKX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)CO)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"DG 36:1","Average Rt(min)":"19.234","Average Mz":"645.54407","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 7715_[M+NH4]+","Fill %":"0.317","MS/MS assigned":"TRUE","Reference RT":"12.8","Reference m/z":"645.54279","Formula":"C39H74O5","Ontology":"DG","INCHIKEY":"ZRGZCKLWMLZVMS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC)CO)CCCCCCC"},{"Metabolite":"DG 36:0","Average Rt(min)":"12.324","Average Mz":"647.57056","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"13.07","Reference m/z":"647.55847","Formula":"C39H76O5","Ontology":"DG","INCHIKEY":"WMWXFVUXSKUAAX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC)CO)CCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"DG 42:6","Average Rt(min)":"11.44","Average Mz":"719.56531","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.78","Reference m/z":"719.55847","Formula":"C45H76O5","Ontology":"DG","INCHIKEY":"DWNBNJDZOMMNHN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCC"},{"Metabolite":"DG 43:7","Average Rt(min)":"15.03","Average Mz":"731.56628","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"12.55","Reference m/z":"731.55847","Formula":"C46H76O5","Ontology":"DG","INCHIKEY":"HBMVJGGRLYOFFG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC"},{"Metabolite":"DG 45:9","Average Rt(min)":"12.21","Average Mz":"755.55902","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_10968; similar chromatogram in higher mz_12541; similar chromatogram in higher mz_15215; similar chromatogram in higher mz_16547","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.24","Reference m/z":"755.55847","Formula":"C48H76O5","Ontology":"DG","INCHIKEY":"PEGOMYLTSMJGKA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC"},{"Metabolite":"DG 45:7","Average Rt(min)":"16.849","Average Mz":"759.59607","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.1","Reference m/z":"759.58978","Formula":"C48H80O5","Ontology":"DG","INCHIKEY":"ALADTLXJFODIQX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCC"},{"Metabolite":"DG 46:10","Average Rt(min)":"13.752","Average Mz":"767.5434","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_11033","Fill %":"0.017","MS/MS assigned":"TRUE","Reference RT":"12.08","Reference m/z":"767.55847","Formula":"C49H76O5","Ontology":"DG","INCHIKEY":"XLDUKAYSVRYHHX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCC"},{"Metabolite":"DG 49:7","Average Rt(min)":"24.088","Average Mz":"815.65295","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12227","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.46","Reference m/z":"815.6524","Formula":"C52H88O5","Ontology":"DG","INCHIKEY":"KPOIYIVSMZMAMU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCCCC"},{"Metabolite":"DG 51:8","Average Rt(min)":"24.141","Average Mz":"841.67029","Adduct type":"[M+Na]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.55","Reference m/z":"841.66803","Formula":"C54H90O5","Ontology":"DG","INCHIKEY":"PIKATRARSGJDNU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC)CO)CCCCCCCCCCCC"},{"Metabolite":"SE 27:2/34:1","Average Rt(min)":"27.635","Average Mz":"890.85358","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12422_[M+H]+; adduct linked to 12786_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"17.04","Reference m/z":"890.86877","Formula":"C61H108O2","Ontology":"DSMSE","INCHIKEY":"XOYMSBSUYQXSGG-UHFFFAOYSA-N","SMILES":"O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC=C(C)C)C2(C)CC1)CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"DG O-37:2","Average Rt(min)":"14.692","Average Mz":"638.6095","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_12185","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"12.39","Reference m/z":"638.60822","Formula":"C40H76O4","Ontology":"EtherDG","INCHIKEY":"VEPIVUWTIVCTDB-UHFFFAOYSA-N","SMILES":"O=C(OC(CO)COCCCCCCCCCCC=CCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"DG O-39:2","Average Rt(min)":"16.286","Average Mz":"666.63965","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 8239; similar chromatogram in higher mz_15898; similar chromatogram in higher mz_16876","Fill %":"0.067","MS/MS assigned":"TRUE","Reference RT":"13.26","Reference m/z":"666.63953","Formula":"C42H80O4","Ontology":"EtherDG","INCHIKEY":"LGHLZCZASVHFDZ-UHFFFAOYSA-N","SMILES":"O=C(OC(CO)COCCCCCCCCCCCC=CCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"PC O-30:1_A","Average Rt(min)":"11.901","Average Mz":"690.54749","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8961_[M+Na]+","Fill %":"0.667","MS/MS assigned":"TRUE","Reference RT":"9.03","Reference m/z":"690.54321","Formula":"C38H76NO7P","Ontology":"EtherPC","INCHIKEY":"CNXQXEMKYGYFSY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC O-30:1_B","Average Rt(min)":"13.279","Average Mz":"690.54779","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8960_[M+Na]+; similar chromatogram in higher mz_16485","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.03","Reference m/z":"690.54321","Formula":"C38H76NO7P","Ontology":"EtherPC","INCHIKEY":"CNXQXEMKYGYFSY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC O-30:0","Average Rt(min)":"13.545","Average Mz":"692.56146","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8983_[M+Na]+; similar chromatogram in higher mz_9429; similar chromatogram in higher mz_12600; similar chromatogram in higher mz_16063; similar chromatogram in higher mz_16923","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.52","Reference m/z":"692.5589","Formula":"C38H78NO7P","Ontology":"EtherPC","INCHIKEY":"QWXGXDFYLSOKRF-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC O-31:1","Average Rt(min)":"14.221","Average Mz":"704.56091","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_12752","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.27","Reference m/z":"704.5589","Formula":"C39H78NO7P","Ontology":"EtherPC","INCHIKEY":"ZFGFGETTXFCNGE-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-31:0","Average Rt(min)":"14.47","Average Mz":"706.57727","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 10150; similar chromatogram in higher mz_10150; similar chromatogram in higher mz_9705","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"9.98","Reference m/z":"706.57452","Formula":"C39H80NO7P","Ontology":"EtherPC","INCHIKEY":"MARQLCZUTCPJHC-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC O-32:2","Average Rt(min)":"13.582","Average Mz":"716.56036","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.28","Reference m/z":"716.5589","Formula":"C40H78NO7P","Ontology":"EtherPC","INCHIKEY":"WSADSIWKXDGULT-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-32:1_A","Average Rt(min)":"15.133","Average Mz":"718.57593","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9432_[M+Na]+; similar chromatogram in higher mz_16173; similar chromatogram in higher mz_16526","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.71","Reference m/z":"718.57452","Formula":"C40H80NO7P","Ontology":"EtherPC","INCHIKEY":"LQQMWURSSDKNHJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-32:1_B","Average Rt(min)":"13.887","Average Mz":"718.57953","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16399","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.71","Reference m/z":"718.57452","Formula":"C40H80NO7P","Ontology":"EtherPC","INCHIKEY":"LQQMWURSSDKNHJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-32:0","Average Rt(min)":"15.388","Average Mz":"720.59351","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9473_[M+Na]+; similar chromatogram in higher mz_16292","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.44","Reference m/z":"720.59021","Formula":"C40H82NO7P","Ontology":"EtherPC","INCHIKEY":"AXEPEEXNGOBZFB-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC O-34:3_A","Average Rt(min)":"14.055","Average Mz":"742.5769","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_10730; similar chromatogram in higher mz_14291","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"9.61","Reference m/z":"742.57452","Formula":"C42H80NO7P","Ontology":"EtherPC","INCHIKEY":"MIKWCKCBCDZUNB-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC=CCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-34:3_B","Average Rt(min)":"13.756","Average Mz":"742.57727","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_10564","Fill %":"0.617","MS/MS assigned":"TRUE","Reference RT":"9.61","Reference m/z":"742.57452","Formula":"C42H80NO7P","Ontology":"EtherPC","INCHIKEY":"MIKWCKCBCDZUNB-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCC=CCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-34:2_A","Average Rt(min)":"15.349","Average Mz":"744.59155","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10066_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"744.59021","Formula":"C42H82NO7P","Ontology":"EtherPC","INCHIKEY":"WBAZRZTVRJLENP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-34:2_B","Average Rt(min)":"14.05","Average Mz":"744.59174","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9049","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"744.59021","Formula":"C42H82NO7P","Ontology":"EtherPC","INCHIKEY":"WBAZRZTVRJLENP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-34:2","Average Rt(min)":"14.353","Average Mz":"744.59418","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.97","Reference m/z":"744.59021","Formula":"C42H82NO7P","Ontology":"EtherPC","INCHIKEY":"WBAZRZTVRJLENP-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-35:8","Average Rt(min)":"14.359","Average Mz":"746.50891","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"8.23","Reference m/z":"746.5119","Formula":"C43H72NO7P","Ontology":"EtherPC","INCHIKEY":"OUIXZZJXFDXXOS-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-34:1","Average Rt(min)":"15.613","Average Mz":"746.60718","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9568","Fill %":"0.683","MS/MS assigned":"TRUE","Reference RT":"10.69","Reference m/z":"746.60577","Formula":"C42H84NO7P","Ontology":"EtherPC","INCHIKEY":"OVZJGEFUWZPYRW-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-34:0","Average Rt(min)":"17.136","Average Mz":"748.62158","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10146_[M+Na]+; similar chromatogram in higher mz_11462","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.31","Reference m/z":"748.62152","Formula":"C42H86NO7P","Ontology":"EtherPC","INCHIKEY":"BNIFFRNYMGLGIV-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC O-36:5","Average Rt(min)":"13.865","Average Mz":"766.57709","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10540_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.41","Reference m/z":"766.57452","Formula":"C44H80NO7P","Ontology":"EtherPC","INCHIKEY":"RDKCYWXIOLUDKK-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-36:4","Average Rt(min)":"14.187","Average Mz":"768.59167","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10588_[M+Na]+; similar chromatogram in higher mz_11414; similar chromatogram in higher mz_13196","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.83","Reference m/z":"768.59021","Formula":"C44H82NO7P","Ontology":"EtherPC","INCHIKEY":"AMIRMXUBGHUMRM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-36:3_A","Average Rt(min)":"14.885","Average Mz":"770.60724","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9603_[M+H]+; similar chromatogram in higher mz_10683; similar chromatogram in higher mz_10894","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.22","Reference m/z":"770.60577","Formula":"C44H84NO7P","Ontology":"EtherPC","INCHIKEY":"GDJAIASCRXEGBE-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-36:3_B","Average Rt(min)":"15.499","Average Mz":"770.60992","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10631_[M+Na]+; similar chromatogram in higher mz_14763","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.22","Reference m/z":"770.60577","Formula":"C44H84NO7P","Ontology":"EtherPC","INCHIKEY":"GDJAIASCRXEGBE-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCC=CCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-36:2_A","Average Rt(min)":"16.924","Average Mz":"772.6236","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10678_[M+Na]+","Fill %":"0.883","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"772.62152","Formula":"C44H86NO7P","Ontology":"EtherPC","INCHIKEY":"MFLNWJCWDLDCLH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-36:2_B","Average Rt(min)":"15.78","Average Mz":"772.62469","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"772.62152","Formula":"C44H86NO7P","Ontology":"EtherPC","INCHIKEY":"MFLNWJCWDLDCLH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-36:2_C","Average Rt(min)":"17.071","Average Mz":"772.62531","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10677_[M+Na]+","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"772.62152","Formula":"C44H86NO7P","Ontology":"EtherPC","INCHIKEY":"MFLNWJCWDLDCLH-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC O-37:8","Average Rt(min)":"16.155","Average Mz":"774.54071","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10714_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.93","Reference m/z":"774.54321","Formula":"C45H76NO7P","Ontology":"EtherPC","INCHIKEY":"YCFMUVIXSYGBEZ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC=CCC=CCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-36:1_A","Average Rt(min)":"17.17","Average Mz":"774.64062","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.79","Reference m/z":"774.63708","Formula":"C44H88NO7P","Ontology":"EtherPC","INCHIKEY":"IIOOVJGBEQXRHD-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-36:1_B","Average Rt(min)":"17.35","Average Mz":"774.64111","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10732_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.79","Reference m/z":"774.63708","Formula":"C44H88NO7P","Ontology":"EtherPC","INCHIKEY":"IIOOVJGBEQXRHD-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PC O-36:0","Average Rt(min)":"18.729","Average Mz":"776.65594","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.5","Reference m/z":"776.65277","Formula":"C44H90NO7P","Ontology":"EtherPC","INCHIKEY":"OBRFWEGTASUAMF-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC O-38:7","Average Rt(min)":"13.498","Average Mz":"790.57599","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_12406","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.53","Reference m/z":"790.57452","Formula":"C46H80NO7P","Ontology":"EtherPC","INCHIKEY":"UUNPNPNQDISOCV-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC=CCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:6_A","Average Rt(min)":"14.042","Average Mz":"792.59033","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.77","Reference m/z":"792.59021","Formula":"C46H82NO7P","Ontology":"EtherPC","INCHIKEY":"LYVCXQZOQYYLAM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:6_B","Average Rt(min)":"13.827","Average Mz":"792.59229","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11178_[M+Na]+","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"9.77","Reference m/z":"792.59021","Formula":"C46H82NO7P","Ontology":"EtherPC","INCHIKEY":"LYVCXQZOQYYLAM-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:5_A","Average Rt(min)":"15.713","Average Mz":"794.60638","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_11704; similar chromatogram in higher mz_11601; similar chromatogram in higher mz_15090","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"10.16","Reference m/z":"794.60577","Formula":"C46H84NO7P","Ontology":"EtherPC","INCHIKEY":"XDRAHGUDUSFGRJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:5_B","Average Rt(min)":"14.346","Average Mz":"794.61047","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.16","Reference m/z":"794.60577","Formula":"C46H84NO7P","Ontology":"EtherPC","INCHIKEY":"XDRAHGUDUSFGRJ-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:4_A","Average Rt(min)":"15.024","Average Mz":"796.62213","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11708_[M+Na]+","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"10.73","Reference m/z":"796.62152","Formula":"C46H86NO7P","Ontology":"EtherPC","INCHIKEY":"JZNRQLVUHAJDFY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:4_B","Average Rt(min)":"16.009","Average Mz":"796.62524","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11283_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.73","Reference m/z":"796.62152","Formula":"C46H86NO7P","Ontology":"EtherPC","INCHIKEY":"JZNRQLVUHAJDFY-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC O-38:1","Average Rt(min)":"18.667","Average Mz":"802.67542","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11457_[M+Na]+","Fill %":"0.283","MS/MS assigned":"TRUE","Reference RT":"13.04","Reference m/z":"802.6684","Formula":"C46H92NO7P","Ontology":"EtherPC","INCHIKEY":"DHHFPCNPVGQREN-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"PE O-32:1","Average Rt(min)":"15.619","Average Mz":"676.52924","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8766_[M+Na]+; similar chromatogram in higher mz_9665; similar chromatogram in higher mz_15260; similar chromatogram in higher mz_16118","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.23","Reference m/z":"676.52759","Formula":"C37H74NO7P","Ontology":"EtherPE","INCHIKEY":"FDULCEKAOVWBTQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC"},{"Metabolite":"PE P-34:1","Average Rt(min)":"15.824","Average Mz":"702.5459","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"found in higher mz's MsMs_16090; adduct linked to 9143_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.44","Reference m/z":"702.54321","Formula":"C39H76NO7P","Ontology":"EtherPE","INCHIKEY":"ZOSSFCIAXYNTHL-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC"},{"Metabolite":"PE P-34:0","Average Rt(min)":"17.333","Average Mz":"704.56171","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9188_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.24","Reference m/z":"704.5589","Formula":"C39H78NO7P","Ontology":"EtherPE","INCHIKEY":"UQIDVGMGKVCWIS-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC"},{"Metabolite":"PE P-36:5","Average Rt(min)":"13.215","Average Mz":"722.51324","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9495_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.35","Reference m/z":"722.5119","Formula":"C41H72NO7P","Ontology":"EtherPE","INCHIKEY":"RLLOITCRNQRGJD-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PE O-36:5","Average Rt(min)":"14.345","Average Mz":"724.52936","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.73","Reference m/z":"724.52759","Formula":"C41H74NO7P","Ontology":"EtherPE","INCHIKEY":"YITZQGLIICATLN-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PE P-36:3","Average Rt(min)":"15.044","Average Mz":"726.54449","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9588_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.28","Reference m/z":"726.54321","Formula":"C41H76NO7P","Ontology":"EtherPE","INCHIKEY":"FUKISTPVIDDUQU-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"PE P-36:2","Average Rt(min)":"16.333","Average Mz":"728.56006","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_11090; similar chromatogram in higher mz_16578; similar chromatogram in higher mz_15898","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.61","Reference m/z":"728.5589","Formula":"C41H78NO7P","Ontology":"EtherPE","INCHIKEY":"CFANDHZPOSNKNO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE O-36:3","Average Rt(min)":"15.957","Average Mz":"728.56061","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9619_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.61","Reference m/z":"728.5589","Formula":"C41H78NO7P","Ontology":"EtherPE","INCHIKEY":"CFANDHZPOSNKNO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE O-36:2","Average Rt(min)":"17.37","Average Mz":"730.57953","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9658_[M+Na]+","Fill %":"0.867","MS/MS assigned":"TRUE","Reference RT":"11.62","Reference m/z":"730.57452","Formula":"C41H80NO7P","Ontology":"EtherPE","INCHIKEY":"MFRYWKSWYSTLOB-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE O-37:4","Average Rt(min)":"13.885","Average Mz":"740.55988","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.81","Reference m/z":"740.5589","Formula":"C42H78NO7P","Ontology":"EtherPE","INCHIKEY":"IICFESKBJYYJEQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"PE O-38:7","Average Rt(min)":"13.382","Average Mz":"748.53082","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"9.51","Reference m/z":"748.52759","Formula":"C43H74NO7P","Ontology":"EtherPE","INCHIKEY":"VGXSEFHXUNWPHA-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PE O-38:6_A","Average Rt(min)":"15.094","Average Mz":"750.54425","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10177_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.06","Reference m/z":"750.54321","Formula":"C43H76NO7P","Ontology":"EtherPE","INCHIKEY":"IISMFRFJVWSFHC-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCC=CCCCCC"},{"Metabolite":"PE O-38:6_B","Average Rt(min)":"14.502","Average Mz":"750.54669","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10173_[M+Na]+; similar chromatogram in higher mz_16549; similar chromatogram in higher mz_16495","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.99","Reference m/z":"750.54321","Formula":"C43H76NO7P","Ontology":"EtherPE","INCHIKEY":"UIOPUEZHKHUYIV-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PE O-38:5_A","Average Rt(min)":"17.511","Average Mz":"752.55554","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10218_[M+Na]+; adduct linked to 9259_[M+H]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.61","Reference m/z":"752.5589","Formula":"C43H78NO7P","Ontology":"EtherPE","INCHIKEY":"WFVNXJAOMVEQKP-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE O-38:5_B","Average Rt(min)":"16.15","Average Mz":"752.56293","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.64","Reference m/z":"752.5589","Formula":"C43H78NO7P","Ontology":"EtherPE","INCHIKEY":"ZTZQZGHJLWFLFQ-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PE O-38:2","Average Rt(min)":"18.884","Average Mz":"758.60834","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10260_[M+H]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.82","Reference m/z":"758.60577","Formula":"C43H84NO7P","Ontology":"EtherPE","INCHIKEY":"HXUHHWPZGOIBGO-UHFFFAOYSA-N","SMILES":"O=C(OC(COC=CCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE O-39:4","Average Rt(min)":"15.61","Average Mz":"768.59119","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 10111","Fill %":"0.433","MS/MS assigned":"TRUE","Reference RT":"11.96","Reference m/z":"768.59021","Formula":"C44H82NO7P","Ontology":"EtherPE","INCHIKEY":"JRBNOSBKLQCKJO-UHFFFAOYSA-N","SMILES":"O=C(OC(COCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"HexCer 42:1;3O_A","Average Rt(min)":"19.332","Average Mz":"810.68616","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11527_[M+H]+; adduct linked to 11993_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.42","Reference m/z":"810.6817","Formula":"C48H93NO9","Ontology":"HexCer_HDS","INCHIKEY":"QSTFCJNEOXXOSD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCC)C(O)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"HexCer 42:0;3O","Average Rt(min)":"19.747","Average Mz":"812.70007","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.99","Reference m/z":"812.69739","Formula":"C48H95NO9","Ontology":"HexCer_HDS","INCHIKEY":"XDLGVHOEYSAYLK-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"HexCer 42:1;3O_B","Average Rt(min)":"18.152","Average Mz":"810.68256","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.767","MS/MS assigned":"TRUE","Reference RT":"12.72","Reference m/z":"810.6817","Formula":"C48H93NO9","Ontology":"HexCer_HS","INCHIKEY":"DFFBNIJKKUVWPO-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCC)C(O)CCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"HexCer 40:0;2O","Average Rt(min)":"18.773","Average Mz":"786.68188","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11002_[M+Na]+","Fill %":"0.9","MS/MS assigned":"TRUE","Reference RT":"12.69","Reference m/z":"786.6817","Formula":"C46H91NO8","Ontology":"HexCer_NDS","INCHIKEY":"BCRCIDJHDMYLDJ-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"HexCer 42:1;2O","Average Rt(min)":"19.747","Average Mz":"794.68781","Adduct type":"[M+H-H2O]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11663_[M+Na]+; similar chromatogram in higher mz_11133; similar chromatogram in higher mz_11989; similar chromatogram in higher mz_12354; similar chromatogram in higher mz_15264","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.05","Reference m/z":"794.68683","Formula":"C48H93NO8","Ontology":"HexCer_NS","INCHIKEY":"POQRWMRXUOPCLD-UHFFFAOYSA-N","SMILES":"O=C(NC(COC1OC(CO)C(O)C(O)C1O)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"LPC 16:0","Average Rt(min)":"2.845","Average Mz":"496.34146","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 5911_[M+Na]+; adduct linked to 5382_[M+H-H2O]+; similar chromatogram in higher mz_8299; similar chromatogram in higher mz_12058","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"6.21","Reference m/z":"496.33981","Formula":"C24H50NO7P","Ontology":"LPC","INCHIKEY":"ASWBNKHCZGQVJV-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"LPC 18:1","Average Rt(min)":"2.902","Average Mz":"522.35638","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 6187_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.27","Reference m/z":"522.35541","Formula":"C26H52NO7P","Ontology":"LPC","INCHIKEY":"YAMUFBLWGFFICM-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"LPC 26:0","Average Rt(min)":"12.626","Average Mz":"636.49658","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.6","Reference m/z":"636.49628","Formula":"C34H70NO7P","Ontology":"LPC","INCHIKEY":"WSDKRPCAPHRNNZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"LPC 28:1","Average Rt(min)":"9.945","Average Mz":"662.51056","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8547_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.54","Reference m/z":"662.5119","Formula":"C36H72NO7P","Ontology":"LPC","INCHIKEY":"UKVNGEBYOOQIDB-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"LPC 28:0","Average Rt(min)":"11.607","Average Mz":"664.5282","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8603_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.86","Reference m/z":"664.52759","Formula":"C36H74NO7P","Ontology":"LPC","INCHIKEY":"VPAMUPUPKCTFGJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"LPE 18:1","Average Rt(min)":"3.016","Average Mz":"480.30994","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 5760_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"6.41","Reference m/z":"480.3085","Formula":"C23H46NO7P","Ontology":"LPE","INCHIKEY":"PYVRVRFVLRNJLY-UHFFFAOYSA-N","SMILES":"O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"NAE 19:0","Average Rt(min)":"3.492","Average Mz":"342.33679","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"7.36","Reference m/z":"342.3367","Formula":"C21H43NO2","Ontology":"NAE","INCHIKEY":"XTMXIPJCLYGTDK-UHFFFAOYSA-N","SMILES":"O=C(NCCO)CCCCCCCCCCCCCCCCCC"},{"Metabolite":"NAE 21:1","Average Rt(min)":"3.786","Average Mz":"368.35315","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 4208_[M+Na]+","Fill %":"0.833","MS/MS assigned":"TRUE","Reference RT":"7.42","Reference m/z":"368.35229","Formula":"C23H45NO2","Ontology":"NAE","INCHIKEY":"IGMIBELQUVIBLL-UHFFFAOYSA-N","SMILES":"O=C(NCCO)CCCCCCCCCC=CCCCCCCCCC"},{"Metabolite":"NAE 28:2","Average Rt(min)":"10.422","Average Mz":"464.44601","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_6690; adduct linked to 5440_[M+H]+; adduct linked to 5797_[M+Na]+; similar chromatogram in higher mz_12438; similar chromatogram in higher mz_15059","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.16","Reference m/z":"464.4462","Formula":"C30H57NO2","Ontology":"NAE","INCHIKEY":"ZXNIJAKSHFMBHG-UHFFFAOYSA-N","SMILES":"O=C(NCCO)CCCCCCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"PC 30:1","Average Rt(min)":"10.992","Average Mz":"704.5249","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9184_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"8.34","Reference m/z":"704.52252","Formula":"C38H74NO8P","Ontology":"PC","INCHIKEY":"KKWICEXJQQUWFX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC"},{"Metabolite":"PC 30:0","Average Rt(min)":"12.428","Average Mz":"706.54114","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9219_[M+Na]+; similar chromatogram in higher mz_16363; similar chromatogram in higher mz_16103","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"8.92","Reference m/z":"706.53809","Formula":"C38H76NO8P","Ontology":"PC","INCHIKEY":"LJARBVLDSOWRJT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC"},{"Metabolite":"PC 31:1","Average Rt(min)":"14.994","Average Mz":"718.54156","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16910; adduct linked to 9427_[M+Na]+","Fill %":"0.867","MS/MS assigned":"TRUE","Reference RT":"8.81","Reference m/z":"718.53809","Formula":"C39H76NO8P","Ontology":"PC","INCHIKEY":"UPVBGIUAKUZSSB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 31:0_A","Average Rt(min)":"13.383","Average Mz":"720.55634","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_9591","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.22","Reference m/z":"720.55377","Formula":"C39H78NO8P","Ontology":"PC","INCHIKEY":"SVEJXXWBDRNQQS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 31:0_B","Average Rt(min)":"13.062","Average Mz":"720.55835","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9077","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"9.22","Reference m/z":"720.55377","Formula":"C39H78NO8P","Ontology":"PC","INCHIKEY":"SVEJXXWBDRNQQS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 32:2_A","Average Rt(min)":"11.155","Average Mz":"730.54034","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9654_[M+Na]+; similar chromatogram in higher mz_15760; similar chromatogram in higher mz_16404; similar chromatogram in higher mz_16419; similar chromatogram in higher mz_16490","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.59","Reference m/z":"730.53809","Formula":"C40H76NO8P","Ontology":"PC","INCHIKEY":"GPWHCUUIQMGELX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC"},{"Metabolite":"PC 32:2_B","Average Rt(min)":"11.323","Average Mz":"730.54199","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9655_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.59","Reference m/z":"730.53809","Formula":"C40H76NO8P","Ontology":"PC","INCHIKEY":"GPWHCUUIQMGELX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC"},{"Metabolite":"PC 32:1","Average Rt(min)":"12.776","Average Mz":"732.55835","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9703_[M+Na]+; similar chromatogram in higher mz_16433; similar chromatogram in higher mz_13852; found in higher mz's MsMs_13852; similar chromatogram in higher mz_11226","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.09","Reference m/z":"732.55377","Formula":"C40H78NO8P","Ontology":"PC","INCHIKEY":"QIBZFHLFHCIUOT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 32:0_A","Average Rt(min)":"14.031","Average Mz":"734.56775","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_9519","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"9.57","Reference m/z":"734.5694","Formula":"C40H80NO8P","Ontology":"PC","INCHIKEY":"KILNVBDSWZSGLL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 32:0_B","Average Rt(min)":"14.303","Average Mz":"734.57526","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9754_[M+Na]+; similar chromatogram in higher mz_10769; similar chromatogram in higher mz_11447; similar chromatogram in higher mz_13890","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.57","Reference m/z":"734.5694","Formula":"C40H80NO8P","Ontology":"PC","INCHIKEY":"KILNVBDSWZSGLL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 33:2","Average Rt(min)":"15.207","Average Mz":"744.55859","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10049_[M+Na]+; adduct linked to 10052_[M+Na]+","Fill %":"0.867","MS/MS assigned":"TRUE","Reference RT":"8.91","Reference m/z":"744.55377","Formula":"C41H78NO8P","Ontology":"PC","INCHIKEY":"NMEXJTZWBAWBCO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCC"},{"Metabolite":"PC 33:1","Average Rt(min)":"13.684","Average Mz":"746.5694","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10093_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.41","Reference m/z":"746.5694","Formula":"C41H80NO8P","Ontology":"PC","INCHIKEY":"QTCAYONTPTZFQC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCC"},{"Metabolite":"PC 33:0","Average Rt(min)":"15.225","Average Mz":"748.59076","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_10563","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"10","Reference m/z":"748.58508","Formula":"C41H82NO8P","Ontology":"PC","INCHIKEY":"SKPMPGXBXHJZPS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC"},{"Metabolite":"PC 34:2_A","Average Rt(min)":"13.253","Average Mz":"758.57196","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10342_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.2","Reference m/z":"758.5694","Formula":"C42H80NO8P","Ontology":"PC","INCHIKEY":"ZRCWDIULNHKQRD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC"},{"Metabolite":"PC 34:2_B","Average Rt(min)":"13.02","Average Mz":"758.57281","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10338_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.2","Reference m/z":"758.5694","Formula":"C42H80NO8P","Ontology":"PC","INCHIKEY":"ZRCWDIULNHKQRD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCC"},{"Metabolite":"PC 34:1","Average Rt(min)":"14.562","Average Mz":"760.5882","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16601; similar chromatogram in higher mz_15842","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"9.76","Reference m/z":"760.58508","Formula":"C42H82NO8P","Ontology":"PC","INCHIKEY":"WTJKGGKOPKCXLL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 35:5","Average Rt(min)":"14.321","Average Mz":"766.54077","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16124","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"8.69","Reference m/z":"766.53809","Formula":"C43H76NO8P","Ontology":"PC","INCHIKEY":"UJMUDAMKHIWLCZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCC"},{"Metabolite":"PC 35:2","Average Rt(min)":"14.198","Average Mz":"772.58649","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.517","MS/MS assigned":"TRUE","Reference RT":"9.63","Reference m/z":"772.58508","Formula":"C43H82NO8P","Ontology":"PC","INCHIKEY":"QHSSPICKLMYIHE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 36:3_A","Average Rt(min)":"13.812","Average Mz":"784.58777","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10948_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.59","Reference m/z":"784.58508","Formula":"C44H82NO8P","Ontology":"PC","INCHIKEY":"FHYXYDNOQOCPNC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCC"},{"Metabolite":"PC 36:3_B","Average Rt(min)":"13.474","Average Mz":"784.5882","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.45","MS/MS assigned":"TRUE","Reference RT":"9.3","Reference m/z":"784.58508","Formula":"C44H82NO8P","Ontology":"PC","INCHIKEY":"WSXZDAPARWPHLV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCC=CCC=CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC"},{"Metabolite":"PC 36:2_A","Average Rt(min)":"14.761","Average Mz":"786.6037","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10986_[M+Na]+; similar chromatogram in higher mz_16869; similar chromatogram in higher mz_16870; similar chromatogram in higher mz_16817","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.89","Reference m/z":"786.60071","Formula":"C44H84NO8P","Ontology":"PC","INCHIKEY":"SNKAWJBJQDLSFF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC 36:2_B","Average Rt(min)":"15.115","Average Mz":"786.60474","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.89","Reference m/z":"786.60071","Formula":"C44H84NO8P","Ontology":"PC","INCHIKEY":"SNKAWJBJQDLSFF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC 36:1","Average Rt(min)":"16.331","Average Mz":"788.62042","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"found in higher mz's MsMs_15015","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"10.67","Reference m/z":"788.61639","Formula":"C44H86NO8P","Ontology":"PC","INCHIKEY":"ATHVAWFAEPLPPQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 37:7","Average Rt(min)":"13.412","Average Mz":"790.54156","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 10580","Fill %":"0.2","MS/MS assigned":"TRUE","Reference RT":"8.51","Reference m/z":"790.53809","Formula":"C45H76NO8P","Ontology":"PC","INCHIKEY":"XNZFLHDUNBGYBT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCC"},{"Metabolite":"PC 36:0","Average Rt(min)":"17.755","Average Mz":"790.63507","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11117_[M+Na]+; similar chromatogram in higher mz_15309; similar chromatogram in higher mz_15308; similar chromatogram in higher mz_11117; similar chromatogram in higher mz_15041","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.59","Reference m/z":"790.63202","Formula":"C44H88NO8P","Ontology":"PC","INCHIKEY":"NRJAVPSFFCBXDT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 37:2","Average Rt(min)":"15.57","Average Mz":"800.61951","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11418_[M+Na]+; similar chromatogram in higher mz_15143","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.37","Reference m/z":"800.61639","Formula":"C45H86NO8P","Ontology":"PC","INCHIKEY":"LOOVXTAPKGYHKO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 38:5_A","Average Rt(min)":"13.905","Average Mz":"808.58527","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11556_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.38","Reference m/z":"808.58508","Formula":"C46H82NO8P","Ontology":"PC","INCHIKEY":"NXXPLRWFTSQYFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 38:5_B","Average Rt(min)":"13.301","Average Mz":"808.5885","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11555_[M+Na]+; similar chromatogram in higher mz_16918","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"9.18","Reference m/z":"808.58508","Formula":"C46H82NO8P","Ontology":"PC","INCHIKEY":"SWOKEJBWARJLGN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC 38:3","Average Rt(min)":"15.173","Average Mz":"812.61987","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.4","MS/MS assigned":"TRUE","Reference RT":"10.43","Reference m/z":"812.61639","Formula":"C46H86NO8P","Ontology":"PC","INCHIKEY":"ZDCCXTFOQDDLSE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 40:8","Average Rt(min)":"11.725","Average Mz":"830.57172","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10695_[M+H-H2O]+; adduct linked to 12020_[M+Na]+; similar chromatogram in higher mz_12310; similar chromatogram in higher mz_12020; similar chromatogram in higher mz_12531","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.9","Reference m/z":"830.5694","Formula":"C48H80NO8P","Ontology":"PC","INCHIKEY":"BFCSBEFTXQRIOJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"PC 40:7","Average Rt(min)":"12.906","Average Mz":"832.58423","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16391; similar chromatogram in higher mz_13821","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.06","Reference m/z":"832.58508","Formula":"C48H82NO8P","Ontology":"PC","INCHIKEY":"BIDJFJRMDMRPIM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CC=CCC=CCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCC=CCC=CCCCCC"},{"Metabolite":"PC 40:6","Average Rt(min)":"13.464","Average Mz":"834.60309","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12080_[M+Na]+; similar chromatogram in higher mz_15437","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.45","Reference m/z":"834.60071","Formula":"C48H84NO8P","Ontology":"PC","INCHIKEY":"SUSAZHLUBGMSDJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"PC 40:4","Average Rt(min)":"16.158","Average Mz":"838.6347","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12180_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.59","Reference m/z":"838.63202","Formula":"C48H88NO8P","Ontology":"PC","INCHIKEY":"AAYOXXRTLLISDA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCC=CCCCCC"},{"Metabolite":"PC 40:2","Average Rt(min)":"17.909","Average Mz":"842.66693","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12254_[M+Na]+; adduct linked to 12257_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.48","Reference m/z":"842.66333","Formula":"C48H92NO8P","Ontology":"PC","INCHIKEY":"AEUCYCQYAUFAKH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"PC 42:1","Average Rt(min)":"20.819","Average Mz":"872.71033","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.19","Reference m/z":"872.71033","Formula":"C50H98NO8P","Ontology":"PC","INCHIKEY":"RPFJUYGHQKYVGN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"PC 44:1","Average Rt(min)":"22.062","Average Mz":"900.74237","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 13784_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"900.74158","Formula":"C52H102NO8P","Ontology":"PC","INCHIKEY":"SIXDFRHLGDHROU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C)CCCCC"},{"Metabolite":"PE 30:1","Average Rt(min)":"11.235","Average Mz":"662.47644","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8546_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.55","Reference m/z":"662.47552","Formula":"C35H68NO8P","Ontology":"PE","INCHIKEY":"IIAJEODNOLQDOK-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC"},{"Metabolite":"PE 34:0","Average Rt(min)":"16.504","Average Mz":"720.55457","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9383_[M+NH4]+; adduct linked to 9461_[M+Na]+; similar chromatogram in higher mz_16333; similar chromatogram in higher mz_16454","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.45","Reference m/z":"720.55377","Formula":"C39H78NO8P","Ontology":"PE","INCHIKEY":"YSFFAUPDXKTJMR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCC"},{"Metabolite":"PE 35:2","Average Rt(min)":"14.336","Average Mz":"730.53937","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_9336; similar chromatogram in higher mz_13890; similar chromatogram in higher mz_16328; similar chromatogram in higher mz_10051; similar chromatogram in higher mz_16593","Fill %":"0.383","MS/MS assigned":"TRUE","Reference RT":"9.84","Reference m/z":"730.53809","Formula":"C40H76NO8P","Ontology":"PE","INCHIKEY":"UPHGQGQEXSZGMI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCCC"},{"Metabolite":"PE 35:1","Average Rt(min)":"15.905","Average Mz":"732.56171","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9712_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.33","Reference m/z":"732.55377","Formula":"C40H78NO8P","Ontology":"PE","INCHIKEY":"CGVIFJVVBPTIFI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCC"},{"Metabolite":"PE 36:5","Average Rt(min)":"13.446","Average Mz":"738.50543","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9841_[M+Na]+; adduct linked to 9012_[M+H]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.86","Reference m/z":"738.50677","Formula":"C41H72NO8P","Ontology":"PE","INCHIKEY":"JGTAFGRCHGWQAN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCC"},{"Metabolite":"PE 36:4","Average Rt(min)":"13.532","Average Mz":"740.52289","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.81","Reference m/z":"740.52252","Formula":"C41H74NO8P","Ontology":"PE","INCHIKEY":"SSCDRSKJTAQNNB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"PE 36:2","Average Rt(min)":"15.202","Average Mz":"744.55426","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.117","MS/MS assigned":"TRUE","Reference RT":"9.93","Reference m/z":"744.55377","Formula":"C41H78NO8P","Ontology":"PE","INCHIKEY":"MWRBNPKJOOWZPW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE 38:5_A","Average Rt(min)":"13.755","Average Mz":"766.54053","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"9.48","Reference m/z":"766.53809","Formula":"C43H76NO8P","Ontology":"PE","INCHIKEY":"ZYMZKMQPPJPQHY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PE 38:5_B","Average Rt(min)":"15.527","Average Mz":"766.54382","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9506_[M+H]+; similar chromatogram in higher mz_10533","Fill %":"0.9","MS/MS assigned":"TRUE","Reference RT":"9.37","Reference m/z":"766.53809","Formula":"C43H76NO8P","Ontology":"PE","INCHIKEY":"DKMPZVLRLUVXHU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCC"},{"Metabolite":"PE 38:4","Average Rt(min)":"15.383","Average Mz":"768.55359","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10578_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.03","Reference m/z":"768.55377","Formula":"C43H78NO8P","Ontology":"PE","INCHIKEY":"YEHAZLUVAZKVRO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCC=CCC=CCC=CCC=CCC)COP(=O)(O)OCCN)CCCCCCCCCCCCCCCCC"},{"Metabolite":"PE 38:2","Average Rt(min)":"16.771","Average Mz":"772.58734","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10665_[M+Na]+","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"11.25","Reference m/z":"772.58508","Formula":"C43H82NO8P","Ontology":"PE","INCHIKEY":"ZOVMPBSAELSQIX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCC=CCCCC"},{"Metabolite":"PE 38:1","Average Rt(min)":"18.331","Average Mz":"774.60297","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10723_[M+Na]+","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"12.28","Reference m/z":"774.60071","Formula":"C43H84NO8P","Ontology":"PE","INCHIKEY":"JJJCIBWAQWANBE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCC"},{"Metabolite":"PE 42:1","Average Rt(min)":"21.108","Average Mz":"830.66473","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12028_[M+Na]+; similar chromatogram in higher mz_13783","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.11","Reference m/z":"830.66333","Formula":"C47H92NO8P","Ontology":"PE","INCHIKEY":"YXLGBUPXQHGLGZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCC"},{"Metabolite":"PS 34:2_A","Average Rt(min)":"11.704","Average Mz":"760.513","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9844; adduct linked to 10390_[M+Na]+","Fill %":"0.767","MS/MS assigned":"TRUE","Reference RT":"8.19","Reference m/z":"760.51233","Formula":"C40H74NO10P","Ontology":"PS","INCHIKEY":"MTAXADWSPWLXHV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCC"},{"Metabolite":"PS 34:2_B","Average Rt(min)":"11.668","Average Mz":"760.51318","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9843","Fill %":"0.15","MS/MS assigned":"TRUE","Reference RT":"8.19","Reference m/z":"760.51233","Formula":"C40H74NO10P","Ontology":"PS","INCHIKEY":"MTAXADWSPWLXHV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCC"},{"Metabolite":"PS 34:1","Average Rt(min)":"13.328","Average Mz":"762.53009","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10438_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"762.52802","Formula":"C40H76NO10P","Ontology":"PS","INCHIKEY":"ICQGUPATJKNGHY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCC"},{"Metabolite":"PS 36:2","Average Rt(min)":"13.447","Average Mz":"788.54559","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11035_[M+Na]+","Fill %":"0.6","MS/MS assigned":"TRUE","Reference RT":"8.53","Reference m/z":"788.54358","Formula":"C42H78NO10P","Ontology":"PS","INCHIKEY":"WTBFLCSPLLEDEM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"PS 38:4","Average Rt(min)":"13.685","Average Mz":"812.54749","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11639_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.45","Reference m/z":"812.54358","Formula":"C44H78NO10P","Ontology":"PS","INCHIKEY":"XUVXVEINFBQTGC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCC=CCC=CCCCCCC"},{"Metabolite":"PS 38:1","Average Rt(min)":"16.768","Average Mz":"818.59271","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"9.57","Reference m/z":"818.59058","Formula":"C44H84NO10P","Ontology":"PS","INCHIKEY":"JDAQZCDWASPATF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCCCCCCCCCCCC"},{"Metabolite":"PS 40:1","Average Rt(min)":"18.332","Average Mz":"846.62305","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12316_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.53","Reference m/z":"846.62189","Formula":"C46H88NO10P","Ontology":"PS","INCHIKEY":"BHWIQRIVUKHAIH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCC"},{"Metabolite":"PS 42:1","Average Rt(min)":"19.77","Average Mz":"874.65601","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12792_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.42","Reference m/z":"874.6532","Formula":"C48H92NO10P","Ontology":"PS","INCHIKEY":"HGKSAXOTYKZIKF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC)COP(=O)(O)OCC(N)C(=O)O)CCCCCC"},{"Metabolite":"SM 32:2;2O","Average Rt(min)":"8.523","Average Mz":"673.52966","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8739_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.18","Reference m/z":"673.52789","Formula":"C37H73N2O6P","Ontology":"SM","INCHIKEY":"FXGRPALUCIOGRO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"SM 32:1;2O","Average Rt(min)":"10.081","Average Mz":"675.54535","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8757_[M+Na]+; similar chromatogram in higher mz_8972; similar chromatogram in higher mz_10035","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.43","Reference m/z":"675.54358","Formula":"C37H75N2O6P","Ontology":"SM","INCHIKEY":"WVZYDPLIGWKWEU-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 32:0;2O","Average Rt(min)":"10.838","Average Mz":"677.56226","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8775_[M+Na]+; similar chromatogram in higher mz_8995; similar chromatogram in higher mz_8775; similar chromatogram in higher mz_12055","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.81","Reference m/z":"677.5592","Formula":"C37H77N2O6P","Ontology":"SM","INCHIKEY":"MCCRWVNDSLPCEX-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 33:1;2O","Average Rt(min)":"11.089","Average Mz":"689.56348","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8952_[M+Na]+; similar chromatogram in higher mz_9405","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.73","Reference m/z":"689.5592","Formula":"C38H77N2O6P","Ontology":"SM","INCHIKEY":"REEYJRIAQSUMNO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 34:2;2O_A","Average Rt(min)":"10.789","Average Mz":"701.5589","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9133_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.5","Reference m/z":"701.5592","Formula":"C39H77N2O6P","Ontology":"SM","INCHIKEY":"OAHFTKWSJGVMTG-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"SM 34:2;2O_B","Average Rt(min)":"10.519","Average Mz":"701.56171","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9132_[M+Na]+; similar chromatogram in higher mz_9420; similar chromatogram in higher mz_10607; similar chromatogram in higher mz_9400","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.67","Reference m/z":"701.5592","Formula":"C39H77N2O6P","Ontology":"SM","INCHIKEY":"VYDHYGBBAHKWKG-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"SM 34:1;2O_A","Average Rt(min)":"11.799","Average Mz":"703.57574","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8905_[M+Na]+; similar chromatogram in higher mz_13198","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"8.79","Reference m/z":"703.57489","Formula":"C39H79N2O6P","Ontology":"SM","INCHIKEY":"RWKUXQNLWDTSLO-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"SM 34:1;2O_B","Average Rt(min)":"12.096","Average Mz":"703.57819","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 8597_[M+H-H2O]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"9.01","Reference m/z":"703.57489","Formula":"C39H79N2O6P","Ontology":"SM","INCHIKEY":"ASWNCHFNKSPKBK-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 34:0;2O","Average Rt(min)":"12.841","Average Mz":"705.59174","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16100","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.41","Reference m/z":"705.59052","Formula":"C39H81N2O6P","Ontology":"SM","INCHIKEY":"JIOJUELCHJZSCJ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 35:1;2O","Average Rt(min)":"13.1","Average Mz":"717.58911","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.32","Reference m/z":"717.59052","Formula":"C40H81N2O6P","Ontology":"SM","INCHIKEY":"ASVIEZNRHGUMIU-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 36:2;2O","Average Rt(min)":"12.59","Average Mz":"729.59442","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.17","Reference m/z":"729.59052","Formula":"C41H81N2O6P","Ontology":"SM","INCHIKEY":"XQOXLMJGXXCULS-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"SM 36:1;2O","Average Rt(min)":"14.082","Average Mz":"731.60919","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16095","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"9.77","Reference m/z":"731.6062","Formula":"C41H83N2O6P","Ontology":"SM","INCHIKEY":"IMSJPGOHOORVQA-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 36:0;2O","Average Rt(min)":"14.787","Average Mz":"733.62195","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"10.38","Reference m/z":"733.62183","Formula":"C41H85N2O6P","Ontology":"SM","INCHIKEY":"HHUPDMAQIBSEGQ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 38:1;2O","Average Rt(min)":"15.971","Average Mz":"759.63702","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10385_[M+Na]+; similar chromatogram in higher mz_10385; similar chromatogram in higher mz_16260; similar chromatogram in higher mz_15034","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.76","Reference m/z":"759.63751","Formula":"C43H87N2O6P","Ontology":"SM","INCHIKEY":"GJBCRJRMBDUHKZ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 40:2;2O_A","Average Rt(min)":"16.436","Average Mz":"785.65399","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10970_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"10.89","Reference m/z":"785.65308","Formula":"C45H89N2O6P","Ontology":"SM","INCHIKEY":"UCLWWTCDZKLHGY-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCC=CCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 40:2;2O_B","Average Rt(min)":"15.983","Average Mz":"785.65625","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10971_[M+Na]+; similar chromatogram in higher mz_10522","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"10.85","Reference m/z":"785.65308","Formula":"C45H89N2O6P","Ontology":"SM","INCHIKEY":"PJNPQSJGQGUEKZ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"SM 40:1;2O","Average Rt(min)":"17.71","Average Mz":"787.67377","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11026_[M+Na]+; similar chromatogram in higher mz_15700; similar chromatogram in higher mz_11958; similar chromatogram in higher mz_11003","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.05","Reference m/z":"787.66882","Formula":"C45H91N2O6P","Ontology":"SM","INCHIKEY":"QHMKUNDEIJYLPC-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 40:0;2O","Average Rt(min)":"18.28","Average Mz":"789.68689","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11092_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.61","Reference m/z":"789.68439","Formula":"C45H93N2O6P","Ontology":"SM","INCHIKEY":"UVNXOIDHLJUGEM-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 41:2;2O","Average Rt(min)":"16.79","Average Mz":"799.66724","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11395_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"11.63","Reference m/z":"799.66882","Formula":"C46H91N2O6P","Ontology":"SM","INCHIKEY":"MUJUIOOFUNCSJZ-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCC=CCCCCCCCCCCCC"},{"Metabolite":"SM 41:1;2O","Average Rt(min)":"18.524","Average Mz":"801.68616","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11443_[M+Na]+","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"12.72","Reference m/z":"801.68439","Formula":"C46H93N2O6P","Ontology":"SM","INCHIKEY":"BLDDOFPGXMISDI-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 42:3;2O","Average Rt(min)":"16.321","Average Mz":"811.66473","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"similar chromatogram in higher mz_16802","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"11.28","Reference m/z":"811.66882","Formula":"C47H91N2O6P","Ontology":"SM","INCHIKEY":"PNUJDINUZYVQHI-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCC=CCCCCCCC"},{"Metabolite":"SM 42:2;2O_A","Average Rt(min)":"17.592","Average Mz":"813.68372","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11691_[M+Na]+; similar chromatogram in higher mz_12009","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.56","Reference m/z":"813.68439","Formula":"C47H93N2O6P","Ontology":"SM","INCHIKEY":"ZJDDNEXGXYLHDF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"SM 42:2;2O_B","Average Rt(min)":"18.14","Average Mz":"813.68695","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.56","Reference m/z":"813.68439","Formula":"C47H93N2O6P","Ontology":"SM","INCHIKEY":"ZJDDNEXGXYLHDF-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"SM 42:1;2O","Average Rt(min)":"19.282","Average Mz":"815.70081","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11726_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"12.92","Reference m/z":"815.70007","Formula":"C47H95N2O6P","Ontology":"SM","INCHIKEY":"SJKQWVPGRUTFNL-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 42:0;2O","Average Rt(min)":"19.788","Average Mz":"817.72266","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11760_[M+Na]+; similar chromatogram in higher mz_13137","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.18","Reference m/z":"817.7157","Formula":"C47H97N2O6P","Ontology":"SM","INCHIKEY":"WOEKZHMIJGAYFE-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)CCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"SM 44:2;2O","Average Rt(min)":"19.105","Average Mz":"841.71619","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12240_[M+Na]+","Fill %":"0.917","MS/MS assigned":"TRUE","Reference RT":"13.1","Reference m/z":"841.7157","Formula":"C49H97N2O6P","Ontology":"SM","INCHIKEY":"GQRUHTCHGLHIAB-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCC)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"SM 44:1;2O","Average Rt(min)":"20.71","Average Mz":"843.73206","Adduct type":"[M+H]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12279_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.3","Reference m/z":"843.73138","Formula":"C49H99N2O6P","Ontology":"SM","INCHIKEY":"VRAWSAPVSSLIRI-UHFFFAOYSA-N","SMILES":"O=C(NC(COP(=O)([O-])OCC[N+](C)(C)C)C(O)C=CCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCCCCCC"},{"Metabolite":"TG 42:1","Average Rt(min)":"22.049","Average Mz":"738.66272","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 9491_[M+Na]+","Fill %":"0.667","MS/MS assigned":"TRUE","Reference RT":"13.56","Reference m/z":"738.66058","Formula":"C45H84O6","Ontology":"TG","INCHIKEY":"FAPDNFUSKWDPPN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 42:0","Average Rt(min)":"23.047","Average Mz":"740.67712","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 10167; adduct linked to 9539_[M+Na]+; similar chromatogram in higher mz_16066","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.72","Reference m/z":"740.67627","Formula":"C45H86O6","Ontology":"TG","INCHIKEY":"SSNHORWSLGYYOE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCC"},{"Metabolite":"TG 44:1","Average Rt(min)":"23.104","Average Mz":"766.69635","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10167_[M+Na]+; similar chromatogram in higher mz_10519","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.8","Reference m/z":"766.69189","Formula":"C47H88O6","Ontology":"TG","INCHIKEY":"KGZNBUYWPDFPTA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)CCCCCCCC=CCCCCC"},{"Metabolite":"TG 44:0","Average Rt(min)":"24.057","Average Mz":"768.70905","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10210_[M+Na]+; similar chromatogram in higher mz_16749; similar chromatogram in higher mz_10571","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14","Reference m/z":"768.70758","Formula":"C47H90O6","Ontology":"TG","INCHIKEY":"ZCHDZACIKMGEJU-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCC"},{"Metabolite":"TG 45:0_A","Average Rt(min)":"24.531","Average Mz":"782.72296","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10528_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.06","Reference m/z":"782.72321","Formula":"C48H92O6","Ontology":"TG","INCHIKEY":"KNQVTQAJWRSOCN-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCC"},{"Metabolite":"TG 45:0_B","Average Rt(min)":"24.341","Average Mz":"782.72345","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10529_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"13.98","Reference m/z":"782.72321","Formula":"C48H92O6","Ontology":"TG","INCHIKEY":"CLJLWABDLPQTHL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC"},{"Metabolite":"TG 46:3","Average Rt(min)":"22.291","Average Mz":"790.69391","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10705_[M+Na]+","Fill %":"0.7","MS/MS assigned":"TRUE","Reference RT":"13.66","Reference m/z":"790.69189","Formula":"C49H88O6","Ontology":"TG","INCHIKEY":"KJTNBMXTRCBORQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 46:2_A","Average Rt(min)":"23.165","Average Mz":"792.70984","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10754_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"13.83","Reference m/z":"792.70758","Formula":"C49H90O6","Ontology":"TG","INCHIKEY":"XUEMVUXNOCIHLG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 46:2_B","Average Rt(min)":"23.427","Average Mz":"792.71051","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 11296","Fill %":"0.85","MS/MS assigned":"TRUE","Reference RT":"13.83","Reference m/z":"792.70758","Formula":"C49H90O6","Ontology":"TG","INCHIKEY":"XUEMVUXNOCIHLG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 46:1","Average Rt(min)":"24.098","Average Mz":"794.72498","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10795_[M+Na]+; similar chromatogram in higher mz_11217; similar chromatogram in higher mz_11264; similar chromatogram in higher mz_12357; similar chromatogram in higher mz_16132","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.03","Reference m/z":"794.72321","Formula":"C49H92O6","Ontology":"TG","INCHIKEY":"RSDIQTNCDWUNDP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 46:0","Average Rt(min)":"24.993","Average Mz":"796.73999","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 10837_[M+Na]+; similar chromatogram in higher mz_11846","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.28","Reference m/z":"796.73889","Formula":"C49H94O6","Ontology":"TG","INCHIKEY":"JWVXCFSNEOMSHH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC"},{"Metabolite":"TG 47:2","Average Rt(min)":"23.661","Average Mz":"806.7262","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11096_[M+Na]+","Fill %":"0.85","MS/MS assigned":"TRUE","Reference RT":"13.96","Reference m/z":"806.72321","Formula":"C50H92O6","Ontology":"TG","INCHIKEY":"QMEJKXDMSCPDTM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCC"},{"Metabolite":"TG 47:1","Average Rt(min)":"24.565","Average Mz":"808.74164","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11165_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.2","Reference m/z":"808.73889","Formula":"C50H94O6","Ontology":"TG","INCHIKEY":"FTMSCCXTPBORCC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCC)CCCCCCCC=CCCCCCCC"},{"Metabolite":"TG 47:0","Average Rt(min)":"25.428","Average Mz":"810.7547","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11222_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.4","Reference m/z":"810.75452","Formula":"C50H96O6","Ontology":"TG","INCHIKEY":"BLIGKERFCBUUQF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCC"},{"Metabolite":"TG 48:3","Average Rt(min)":"23.271","Average Mz":"818.7287","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11445_[M+Na]+; adduct linked to 11787_[M+Na]+","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"13.93","Reference m/z":"818.72321","Formula":"C51H92O6","Ontology":"TG","INCHIKEY":"SCMYBLPPTOLDOB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"TG 48:2","Average Rt(min)":"24.14","Average Mz":"820.73724","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11478_[M+Na]+; similar chromatogram in higher mz_13066","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.07","Reference m/z":"820.73889","Formula":"C51H94O6","Ontology":"TG","INCHIKEY":"RUOVJPPUXXFZPC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 48:1","Average Rt(min)":"25.012","Average Mz":"822.75568","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12447; adduct linked to 11499_[M+Na]+; similar chromatogram in higher mz_11846","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.3","Reference m/z":"822.75452","Formula":"C51H96O6","Ontology":"TG","INCHIKEY":"FEKLSEFRUGWUOS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 48:0","Average Rt(min)":"25.853","Average Mz":"824.77466","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11547_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.6","Reference m/z":"824.7702","Formula":"C51H98O6","Ontology":"TG","INCHIKEY":"PVNIQBQSYATKKL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"TG 49:2","Average Rt(min)":"24.595","Average Mz":"834.75446","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11761_[M+Na]+; similar chromatogram in higher mz_12067","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.21","Reference m/z":"834.75452","Formula":"C52H96O6","Ontology":"TG","INCHIKEY":"CKCCBJSARYBDHM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 49:1","Average Rt(min)":"25.444","Average Mz":"836.77008","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11812_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.35","Reference m/z":"836.7702","Formula":"C52H98O6","Ontology":"TG","INCHIKEY":"CGNSBMCYBIAJRM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC"},{"Metabolite":"TG 49:0","Average Rt(min)":"26.257","Average Mz":"838.78424","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11853_[M+Na]+; similar chromatogram in higher mz_14304; similar chromatogram in higher mz_12586","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.79","Reference m/z":"838.78583","Formula":"C52H100O6","Ontology":"TG","INCHIKEY":"XVXCJHUSHRTSHB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCC"},{"Metabolite":"TG 50:5","Average Rt(min)":"23.102","Average Mz":"842.72656","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 9539; adduct linked to 11940_[M+Na]+","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"13.82","Reference m/z":"842.72321","Formula":"C53H92O6","Ontology":"TG","INCHIKEY":"DXXQBFLJQXUGKI-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 50:3","Average Rt(min)":"24.199","Average Mz":"846.75494","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12016_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.14","Reference m/z":"846.75452","Formula":"C53H96O6","Ontology":"TG","INCHIKEY":"DMDLJYYIPDOJQY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"TG 50:2","Average Rt(min)":"25.039","Average Mz":"848.77057","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.3","Reference m/z":"848.7702","Formula":"C53H98O6","Ontology":"TG","INCHIKEY":"TWJCMQZMAPGUSG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 50:1","Average Rt(min)":"25.851","Average Mz":"850.78845","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13069; adduct linked to 12073_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.62","Reference m/z":"850.78583","Formula":"C53H100O6","Ontology":"TG","INCHIKEY":"YHMDGPZOSGBQRH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 51:3","Average Rt(min)":"24.636","Average Mz":"860.76935","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12282_[M+Na]+; similar chromatogram in higher mz_12532","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.29","Reference m/z":"860.7702","Formula":"C54H98O6","Ontology":"TG","INCHIKEY":"ISSGPXMQOMAFMJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCC)CCCCCCCC=CCCCCCCC"},{"Metabolite":"TG 51:2","Average Rt(min)":"25.456","Average Mz":"862.79077","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12305_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.46","Reference m/z":"862.78583","Formula":"C54H100O6","Ontology":"TG","INCHIKEY":"ZBVNZOMNOUYLAY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCC"},{"Metabolite":"TG 51:1","Average Rt(min)":"26.257","Average Mz":"864.80225","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13901; ion correlated with 13588; adduct linked to 12344_[M+Na]+; similar chromatogram in higher mz_12784","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.7","Reference m/z":"864.80151","Formula":"C54H102O6","Ontology":"TG","INCHIKEY":"ADCOBDZTCWVQTA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC"},{"Metabolite":"TG 52:5","Average Rt(min)":"24.09","Average Mz":"870.75763","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 11695_[M+H-H2O]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.08","Reference m/z":"870.75452","Formula":"C55H96O6","Ontology":"TG","INCHIKEY":"MKRZSXAKFYWUAW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 52:4","Average Rt(min)":"24.364","Average Mz":"872.77478","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12481_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"14.21","Reference m/z":"872.7702","Formula":"C55H98O6","Ontology":"TG","INCHIKEY":"LXAWUIOWWNQCQA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 52:3","Average Rt(min)":"25.065","Average Mz":"874.78955","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12509_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.43","Reference m/z":"874.78583","Formula":"C55H100O6","Ontology":"TG","INCHIKEY":"YBWITEZBUYUNFC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 52:2","Average Rt(min)":"25.855","Average Mz":"876.80634","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12174_[M+H]+; adduct linked to 12534_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.65","Reference m/z":"876.80151","Formula":"C55H102O6","Ontology":"TG","INCHIKEY":"JFISYPWOVQNHLS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 52:1","Average Rt(min)":"26.637","Average Mz":"878.81909","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13103; adduct linked to 12555_[M+Na]+; adduct linked to 13244_[M+NH4]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.91","Reference m/z":"878.81708","Formula":"C55H104O6","Ontology":"TG","INCHIKEY":"NPCZZYKITFKRQZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 52:0","Average Rt(min)":"27.372","Average Mz":"880.83423","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12589_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"15.39","Reference m/z":"880.83282","Formula":"C55H106O6","Ontology":"TG","INCHIKEY":"SDNYRTVJOFMYIW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"TG 53:3","Average Rt(min)":"25.471","Average Mz":"888.80084","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12746_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.55","Reference m/z":"888.80151","Formula":"C56H102O6","Ontology":"TG","INCHIKEY":"ZNQBEJJYVJSZLM-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCC"},{"Metabolite":"TG 53:2","Average Rt(min)":"26.249","Average Mz":"890.81793","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12784_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"14.77","Reference m/z":"890.81708","Formula":"C56H104O6","Ontology":"TG","INCHIKEY":"MVPBQGIVKIBMJL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC"},{"Metabolite":"TG 53:1","Average Rt(min)":"27.009","Average Mz":"892.8324","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 12818_[M+Na]+","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"15.24","Reference m/z":"892.83282","Formula":"C56H106O6","Ontology":"TG","INCHIKEY":"CTYHEFNQFHZLTL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 54:7","Average Rt(min)":"23.793","Average Mz":"894.7533","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13692; adduct linked to 12840_[M+Na]+; similar chromatogram in higher mz_14934; similar chromatogram in higher mz_16247","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"13.89","Reference m/z":"894.75452","Formula":"C57H96O6","Ontology":"TG","INCHIKEY":"KZNMWCNMPFUCPG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 54:6","Average Rt(min)":"24.136","Average Mz":"896.77271","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 11431; adduct linked to 12205_[M+H-H2O]+; adduct linked to 13017_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.02","Reference m/z":"896.7702","Formula":"C57H98O6","Ontology":"TG","INCHIKEY":"HBOQXIRUPVQLKX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 54:5","Average Rt(min)":"24.57","Average Mz":"898.78662","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 13691_[M+Na]+","Fill %":"0.9","MS/MS assigned":"TRUE","Reference RT":"14.32","Reference m/z":"898.78583","Formula":"C57H100O6","Ontology":"TG","INCHIKEY":"VVEBTVMJPTZDHO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 54:4_A","Average Rt(min)":"25.219","Average Mz":"900.7984","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 13111_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.51","Reference m/z":"900.80151","Formula":"C57H102O6","Ontology":"TG","INCHIKEY":"JTMWOTXEVWLTTO-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 54:4_B","Average Rt(min)":"25.368","Average Mz":"900.80566","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12445; adduct linked to 13109_[M+Na]+","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"14.49","Reference m/z":"900.80151","Formula":"C57H102O6","Ontology":"TG","INCHIKEY":"PJHDLKOEJMDTBE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 54:3","Average Rt(min)":"25.865","Average Mz":"902.81818","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 13138_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.67","Reference m/z":"902.81708","Formula":"C57H104O6","Ontology":"TG","INCHIKEY":"IDMJDWJMYCKJQJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 54:2","Average Rt(min)":"26.625","Average Mz":"904.8349","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12501; adduct linked to 13180_[M+Na]+","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"14.96","Reference m/z":"904.83282","Formula":"C57H106O6","Ontology":"TG","INCHIKEY":"RYNHWWNZNIGDAQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 54:1","Average Rt(min)":"27.359","Average Mz":"906.85376","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 14246; adduct linked to 13205_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"15.37","Reference m/z":"906.84839","Formula":"C57H108O6","Ontology":"TG","INCHIKEY":"YFFIQXNTTVSKJC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 55:2","Average Rt(min)":"26.99","Average Mz":"918.8515","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 13815_[M+Na]+","Fill %":"0.8","MS/MS assigned":"TRUE","Reference RT":"15.25","Reference m/z":"918.84839","Formula":"C58H108O6","Ontology":"TG","INCHIKEY":"FLDIHXYPYWYZFS-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC"},{"Metabolite":"TG 56:7","Average Rt(min)":"24.414","Average Mz":"922.78503","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12481; ion correlated with 12798; ion correlated with 11943; adduct linked to 13873_[M+Na]+","Fill %":"0.733","MS/MS assigned":"TRUE","Reference RT":"14.17","Reference m/z":"922.78583","Formula":"C59H100O6","Ontology":"TG","INCHIKEY":"WSZCBVABHNUPSE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 56:6","Average Rt(min)":"25.277","Average Mz":"924.80304","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14112_[M+Na]+","Fill %":"0.717","MS/MS assigned":"TRUE","Reference RT":"14.45","Reference m/z":"924.80151","Formula":"C59H102O6","Ontology":"TG","INCHIKEY":"LWFHQFIZUUUVSB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 56:5","Average Rt(min)":"25.834","Average Mz":"926.81952","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14228_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"14.54","Reference m/z":"926.81708","Formula":"C59H104O6","Ontology":"TG","INCHIKEY":"KMIZVJUJNXEGBB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCC=CCCCC"},{"Metabolite":"TG 56:4_A","Average Rt(min)":"26.191","Average Mz":"928.83563","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13070; ion correlated with 12270; adduct linked to 14257_[M+Na]+; adduct linked to 13206_[M+H]+","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"14.78","Reference m/z":"928.83282","Formula":"C59H106O6","Ontology":"TG","INCHIKEY":"SQBMPFCSSGSZFV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 56:4_B","Average Rt(min)":"26","Average Mz":"928.83575","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14258_[M+Na]+","Fill %":"0.9","MS/MS assigned":"TRUE","Reference RT":"14.79","Reference m/z":"928.83282","Formula":"C59H106O6","Ontology":"TG","INCHIKEY":"RACQWVDPZDCYJX-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCCCCCC"},{"Metabolite":"TG 56:2","Average Rt(min)":"27.319","Average Mz":"932.8645","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13130; adduct linked to 14312_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"15.42","Reference m/z":"932.86407","Formula":"C59H110O6","Ontology":"TG","INCHIKEY":"OWMDNFFJJVRJMG-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 56:1","Average Rt(min)":"28.029","Average Mz":"934.88049","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14356_[M+Na]+; adduct linked to 13591_[M+H-H2O]+","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"16","Reference m/z":"934.8797","Formula":"C59H112O6","Ontology":"TG","INCHIKEY":"KJQOITVLKVGNFB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 56:0","Average Rt(min)":"28.707","Average Mz":"936.89825","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14400_[M+Na]+; similar chromatogram in higher mz_14686","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"16.53","Reference m/z":"936.89539","Formula":"C59H114O6","Ontology":"TG","INCHIKEY":"MGQHTRNJHGXXET-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"TG 57:3","Average Rt(min)":"26.971","Average Mz":"944.86536","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 14677; adduct linked to 14571_[M+Na]+","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"15.27","Reference m/z":"944.86407","Formula":"C60H110O6","Ontology":"TG","INCHIKEY":"BOSKCQLWDZBAMD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 57:2","Average Rt(min)":"27.655","Average Mz":"946.88904","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14603_[M+Na]+; adduct linked to 14826_[M+Na]+","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"15.64","Reference m/z":"946.8797","Formula":"C60H112O6","Ontology":"TG","INCHIKEY":"WHRGKXMTMTVSKJ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCC=CCCCCCC"},{"Metabolite":"TG 58:7_A","Average Rt(min)":"25.265","Average Mz":"950.82013","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13846; adduct linked to 14655_[M+Na]+","Fill %":"0.733","MS/MS assigned":"TRUE","Reference RT":"14.52","Reference m/z":"950.81708","Formula":"C61H104O6","Ontology":"TG","INCHIKEY":"XSJRKDQVEHTWNV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 58:7_B","Average Rt(min)":"25.573","Average Mz":"950.82037","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13863; adduct linked to 14657_[M+Na]+","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"14.49","Reference m/z":"950.81708","Formula":"C61H104O6","Ontology":"TG","INCHIKEY":"XHDAJDXEPVWPLT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCC=CCCCCCCCC)CCCCCCCCC=CCC=CCC=CCC"},{"Metabolite":"TG 58:6","Average Rt(min)":"25.873","Average Mz":"952.83215","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12868; adduct linked to 14683_[M+Na]+","Fill %":"0.817","MS/MS assigned":"TRUE","Reference RT":"14.81","Reference m/z":"952.83282","Formula":"C61H106O6","Ontology":"TG","INCHIKEY":"NQLJXHIRCYJISZ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCC=CCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 58:4","Average Rt(min)":"26.783","Average Mz":"956.86334","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 12198; ion correlated with 14243; ion correlated with 14284; ion correlated with 14679","Fill %":"0.1","MS/MS assigned":"TRUE","Reference RT":"15.18","Reference m/z":"956.86407","Formula":"C61H110O6","Ontology":"TG","INCHIKEY":"LXTXAXVFCGRXJB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)COC(=O)CCCCCCCC=CCCCCCC)CCCCCCCC=CCC=CCCCCC"},{"Metabolite":"TG 58:3","Average Rt(min)":"27.309","Average Mz":"958.88733","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14760_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"15.55","Reference m/z":"958.8797","Formula":"C61H112O6","Ontology":"TG","INCHIKEY":"RFMSTHTUAZETPD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 58:2","Average Rt(min)":"27.97","Average Mz":"960.89709","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14782_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"16.01","Reference m/z":"960.89539","Formula":"C61H114O6","Ontology":"TG","INCHIKEY":"JEEMXKLREVCFGB-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 58:1","Average Rt(min)":"28.687","Average Mz":"962.91382","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14811_[M+Na]+; similar chromatogram in higher mz_15033; adduct linked to 14492_[M+H-H2O]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"16.47","Reference m/z":"962.91101","Formula":"C61H116O6","Ontology":"TG","INCHIKEY":"NZERSCBBKRCTSW-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"TG 58:0","Average Rt(min)":"29.273","Average Mz":"964.92908","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14842_[M+Na]+; similar chromatogram in higher mz_15058; similar chromatogram in higher mz_14842","Fill %":"1","MS/MS assigned":"TRUE","Reference RT":"16.99","Reference m/z":"964.9267","Formula":"C61H118O6","Ontology":"TG","INCHIKEY":"CVKNDVBLZYZCNA-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"TG 59:2","Average Rt(min)":"28.277","Average Mz":"974.91339","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 14977_[M+Na]+; adduct linked to 15172_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"16.29","Reference m/z":"974.91101","Formula":"C62H116O6","Ontology":"TG","INCHIKEY":"XWNBIIIIVBSJPH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"},{"Metabolite":"TG 60:8","Average Rt(min)":"25.543","Average Mz":"976.8299","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"ion correlated with 13122; ion correlated with 13021; adduct linked to 14998_[M+Na]+; similar chromatogram in higher mz_15458","Fill %":"0.783","MS/MS assigned":"TRUE","Reference RT":"14.64","Reference m/z":"976.83282","Formula":"C63H106O6","Ontology":"TG","INCHIKEY":"GGPXNSNZEYHYGL-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCC=CCC=CCC=CCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCC=CCC=CCC=CCC=CCC=CCC"},{"Metabolite":"TG 59:1","Average Rt(min)":"28.975","Average Mz":"976.93048","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15005_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"16.85","Reference m/z":"976.9267","Formula":"C62H118O6","Ontology":"TG","INCHIKEY":"XMMNMWTULGAWPH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 60:3","Average Rt(min)":"27.958","Average Mz":"986.91547","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15121_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"16.01","Reference m/z":"986.91101","Formula":"C63H116O6","Ontology":"TG","INCHIKEY":"QGHHAKZNDRIPKE-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 60:1","Average Rt(min)":"29.256","Average Mz":"990.94519","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15163_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"17.02","Reference m/z":"990.94232","Formula":"C63H120O6","Ontology":"TG","INCHIKEY":"CRRULBZKNVQXFP-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 60:0","Average Rt(min)":"29.79","Average Mz":"992.95898","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15190_[M+Na]+; similar chromatogram in higher mz_15357","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"17.15","Reference m/z":"992.95801","Formula":"C63H122O6","Ontology":"TG","INCHIKEY":"MXKYJIUBZJHHCH-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC"},{"Metabolite":"TG 61:2","Average Rt(min)":"28.964","Average Mz":"1002.94629","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15280_[M+Na]+","Fill %":"0.85","MS/MS assigned":"TRUE","Reference RT":"16.83","Reference m/z":"1002.94232","Formula":"C64H120O6","Ontology":"TG","INCHIKEY":"SHYPMKVSCSHEQY-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCCC"},{"Metabolite":"TG 62:3","Average Rt(min)":"28.559","Average Mz":"1014.94611","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15403_[M+Na]+; similar chromatogram in higher mz_15582","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"16.56","Reference m/z":"1014.94232","Formula":"C65H120O6","Ontology":"TG","INCHIKEY":"BYYKDJLCIUYXEF-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCC=CCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 62:2","Average Rt(min)":"29.24","Average Mz":"1016.96124","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15409_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"17","Reference m/z":"1016.95801","Formula":"C65H122O6","Ontology":"TG","INCHIKEY":"FLTIQMQPLBSMJV-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 62:1","Average Rt(min)":"29.766","Average Mz":"1018.97784","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15416_[M+Na]+","Fill %":"0.983","MS/MS assigned":"TRUE","Reference RT":"17.29","Reference m/z":"1018.97357","Formula":"C65H124O6","Ontology":"TG","INCHIKEY":"KKEUBOCLUZLVRD-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 64:3","Average Rt(min)":"29.099","Average Mz":"1042.97644","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15557_[M+Na]+","Fill %":"0.967","MS/MS assigned":"TRUE","Reference RT":"17.05","Reference m/z":"1042.97363","Formula":"C67H124O6","Ontology":"TG","INCHIKEY":"SMZRRNNWEZDARR-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 64:2","Average Rt(min)":"29.715","Average Mz":"1044.98804","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15563_[M+Na]+; similar chromatogram in higher mz_15626; similar chromatogram in higher mz_15780","Fill %":"0.95","MS/MS assigned":"TRUE","Reference RT":"17.3","Reference m/z":"1044.98926","Formula":"C67H126O6","Ontology":"TG","INCHIKEY":"BGQIEQIWOYTOKT-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 64:1","Average Rt(min)":"30.242","Average Mz":"1047.01013","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15568_[M+Na]+","Fill %":"0.933","MS/MS assigned":"TRUE","Reference RT":"17.43","Reference m/z":"1047.00488","Formula":"C67H128O6","Ontology":"TG","INCHIKEY":"BDYAOBMCGRJNQC-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC"},{"Metabolite":"TG 66:2","Average Rt(min)":"30.166","Average Mz":"1073.02295","Adduct type":"[M+NH4]+","POLARITY":"POSITIVE","Post curation result":"adduct linked to 15671_[M+Na]+","Fill %":"0.833","MS/MS assigned":"TRUE","Reference RT":"17.42","Reference m/z":"1073.02063","Formula":"C69H130O6","Ontology":"TG","INCHIKEY":"ALUNOGFFTNGAGQ-UHFFFAOYSA-N","SMILES":"O=C(OCC(OC(=O)CCCCCCCCCCCC=CCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCCCC"}]
}

}