{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001127","ANALYSIS_ID":"AN001852","VERSION":"1","CREATED_ON":"February 4, 2019, 12:30 pm"},

"PROJECT":{"PROJECT_TITLE":"Bacteroides-derived sphingolipids are critical for maintaining intestinal homeostasis and symbiosis","PROJECT_SUMMARY":"Sphingolipids are structural membrane components and important eukaryotic signaling molecules. We hypothesized that sphingolipids mediate intestinal health as they were identified as the most upregulated metabolite feature in stool of inflammatory bowel disease (IBD) patients. Commensal Bacteroidetes also produce sphingolipids, but the impact of these metabolites on host pathways is largely uncharacterized. To study Bacteroidetes sphingolipids in intestinal health, we colonized germ-free mice with a sphingolipid-deficient Bacteroides thetaiotaomicron strain. A lack of Bacteroides-derived sphingolipids increased intestinal inflammation, dysregulated innate immunity and altered the host ceramide pool. Using metabolomic analysis, we described the Bacteroides sphingolipid biosynthesis pathway and revealed a greater variety of Bacteroides-derived sphingolipids than previously recognized, including ceramide phosphoinositol and deoxy-sphingolipids. We annotated Bacteroides sphingolipids in an IBD metabolomic dataset, discovering lower abundances in IBD and negative correlations with gut inflammation and host sphingolipid production. These data highlight the role of sphingolipids in maintaining host-bacterial symbiosis and intestinal homeostasis.","INSTITUTE":"Broad Institute of MIT and Harvard","LAST_NAME":"Avila-Pacheco","FIRST_NAME":"Julian","ADDRESS":"415 Main Street, Cambridge MA","EMAIL":"jravilap@broadinstitute.org","PHONE":"617-714-8264","FUNDING_SOURCE":"National Institutes of Health (P30 DK043351 and R01 AT009708)","CONTRIBUTORS":"Eric M. Brown, Xiaobo Ke, Daniel Hitchcock, Timothy D. Arthur, Toru Nakata, Nadine Fornelos, Cortney Heim, Eric A. Franzosa1,4, Curtis Huttenhower1,4, Henry J. Haiser3, Glen 6 Dillow3, Daniel B. Graham1, B. Brett Finlay, Aleksandar D. Kostic, Jeffrey A. Porter, Hera Vlamakis, Sarah Jeanfavre, Julian Avila-Pacheco, Clary B. Clish, and Ramnik J. Xavier"},

"STUDY":{"STUDY_TITLE":"Lipid profiling of caecal samples from GF mice colonized with B. thetaiotaomicron WT or the ΔSPT mutants (part III)","STUDY_SUMMARY":"To study Bacteroidetes sphingolipids in intestinal health, we colonized germ-free mice with wild type or a sphingolipid-deficient Bacteroides thetaiotaomicron strain. A lack of Bacteroides derived sphingolipids increased intestinal inflammation, dysregulated innate immunity and altered the host ceramide pool.","INSTITUTE":"Broad Institute of MIT and Harvard","LAST_NAME":"Avila-Pacheco","FIRST_NAME":"Julian","ADDRESS":"415 Main Street","EMAIL":"jravilap@broadinstitute.org","PHONE":"617-714-8264","NUM_GROUPS":"3","TOTAL_SUBJECTS":"14"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENOTYPE_STRAIN":"C57BL/6 germ-free mice","ANIMAL_ANIMAL_SUPPLIER":"Taconic"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_1",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S01.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_2",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S02.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_3",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S03.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_4",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S04.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_5",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S05.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTWT Cecal_6",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"WT (VPI-5482)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S06.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_1",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S07.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_2",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S08.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_3",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S09.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_4",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S10.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_5",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S11.raw"}
},
{
"Subject ID":"-",
"Sample ID":"BTSPR Cecal_6",
"Factors":{"Inoculum":"Bacteroides thetaiotaomicron","Strain":"SPT K.O. (BT_0870)"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S12.raw"}
},
{
"Subject ID":"-",
"Sample ID":"GF Cecal_1",
"Factors":{"Inoculum":"None","Strain":"None"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S13.raw"}
},
{
"Subject ID":"-",
"Sample ID":"GF Cecal_2",
"Factors":{"Inoculum":"None","Strain":"None"},
"Additional sample data":{"Sample Type":"Mouse Cecal Extract","Raw File Name:":"Brown_S14.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Caecal samples from GF mice colonized with B. thetaiotaomicron WT or the ΔSPT mutant were weighed, and 20 mg of each wet-weight sample was used for lipid profiling.","SAMPLE_TYPE":"Cecum","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"In an anaerobic chamber, bacterial cultures from frozen stocks were first plated on BHI supplemented with hemin and vitamin K, and subsequently pure cultures were selected and mixed together at a 1:1 ratio in sterile, reduced PBS. Bacterial mixtures in PBS were removed from the anaerobic chamber and immediately transported to the animal facility for gavage experiments. The volume of the mixture received per mouse was 100 μL, at a concentration of 10^9 cells/mL. The concentration of the mixture in cell/mL was determined using a UV spectrometer, and gavage doses were confirmed by back-titering the inocula."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"20 mg of each wet-weight cecal sample was extracted using 200 μL isopropanol + 0.1 ng/μL C24:0 PC as internal standard, incubated at RT for 1 hr, and centrifuged for 10 min at 10,000g."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Shimadzu Nexera X2","COLUMN_NAME":"Waters Acquity BEH C8 (100 x 2.1mm, 1.7um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","LABORATORY_NAME":"Metabolomics Platform","OPERATOR_NAME":"Daniel Hitchcock"},

"MS":{"INSTRUMENT_NAME":"Thermo Q Exactive Focus","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Raw data were processed using TraceFinder 3.1 (Thermo Fisher) and Progenesis QI (Nonlinear dynamics). Retention time, m/z, MS/MS fragmentation were used to confirm the identity of metabolite using authentic reference standards when available (level 1 identifications), in addition to monitoring the product ions produced and the retention time and mass of species belonging to the each lipid class (level 2-3 annotation).","MS_RESULTS_FILE":"ST001127_AN001852_Results.txt UNITS:abundance Has m/z:Yes Has RT:Yes RT units:Minutes"},

"MS_METABOLITE_DATA":{
"Units":"Abundances",

"Data":[{"Metabolite":"1-deoxysphinganine iso-C16","BTWT Cecal_1":"33592","BTWT Cecal_2":"73274","BTWT Cecal_3":"35326","BTWT Cecal_4":"38396","BTWT Cecal_5":"49338","BTWT Cecal_6":"86297","BTSPR Cecal_1":"268","BTSPR Cecal_2":"951","BTSPR Cecal_3":"297","BTSPR Cecal_4":"592","BTSPR Cecal_5":"576","BTSPR Cecal_6":"430","GF Cecal_1":"582","GF Cecal_2":"821"},{"Metabolite":"1-deoxysphinganine iso-C17","BTWT Cecal_1":"176114","BTWT Cecal_2":"328500","BTWT Cecal_3":"138080","BTWT Cecal_4":"140843","BTWT Cecal_5":"183982","BTWT Cecal_6":"298411","BTSPR Cecal_1":"12927","BTSPR Cecal_2":"23902","BTSPR Cecal_3":"13447","BTSPR Cecal_4":"19607","BTSPR Cecal_5":"12879","BTSPR Cecal_6":"16455","GF Cecal_1":"11081","GF Cecal_2":"9630"},{"Metabolite":"1-deoxysphinganine iso-C18","BTWT Cecal_1":"56855","BTWT Cecal_2":"87235","BTWT Cecal_3":"36647","BTWT Cecal_4":"37484","BTWT Cecal_5":"69146","BTWT Cecal_6":"128806","BTSPR Cecal_1":"33","BTSPR Cecal_2":"635","BTSPR Cecal_3":"","BTSPR Cecal_4":"","BTSPR Cecal_5":"26","BTSPR Cecal_6":"32","GF Cecal_1":"","GF Cecal_2":"25"},{"Metabolite":"3-ketosphinganine iso-C16","BTWT Cecal_1":"6927","BTWT Cecal_2":"15021","BTWT Cecal_3":"9403","BTWT Cecal_4":"8830","BTWT Cecal_5":"21962","BTWT Cecal_6":"24531","BTSPR Cecal_1":"","BTSPR Cecal_2":"235","BTSPR Cecal_3":"66","BTSPR Cecal_4":"35","BTSPR Cecal_5":"39","BTSPR Cecal_6":"81","GF Cecal_1":"124","GF Cecal_2":"44"},{"Metabolite":"3-ketosphinganine iso-C17","BTWT Cecal_1":"236590","BTWT Cecal_2":"340503","BTWT Cecal_3":"107876","BTWT Cecal_4":"120472","BTWT Cecal_5":"152882","BTWT Cecal_6":"275108","BTSPR Cecal_1":"45191","BTSPR Cecal_2":"99317","BTSPR Cecal_3":"45234","BTSPR Cecal_4":"87150","BTSPR Cecal_5":"56380","BTSPR Cecal_6":"75246","GF Cecal_1":"84399","GF Cecal_2":"83745"},{"Metabolite":"3-ketosphinganine iso-C18","BTWT Cecal_1":"3528","BTWT Cecal_2":"5778","BTWT Cecal_3":"2228","BTWT Cecal_4":"2178","BTWT Cecal_5":"4352","BTWT Cecal_6":"10815","BTSPR Cecal_1":"243","BTSPR Cecal_2":"1721","BTSPR Cecal_3":"891","BTSPR Cecal_4":"1630","BTSPR Cecal_5":"847","BTSPR Cecal_6":"1375","GF Cecal_1":"732","GF Cecal_2":"814"},{"Metabolite":"CerPE C32","BTWT Cecal_1":"55632","BTWT Cecal_2":"139936","BTWT Cecal_3":"63869","BTWT Cecal_4":"52881","BTWT Cecal_5":"70181","BTWT Cecal_6":"103176","BTSPR Cecal_1":"2600","BTSPR Cecal_2":"7547","BTSPR Cecal_3":"2347","BTSPR Cecal_4":"3555","BTSPR Cecal_5":"2723","BTSPR Cecal_6":"3873","GF Cecal_1":"410","GF Cecal_2":"328"},{"Metabolite":"CerPE C33","BTWT Cecal_1":"743875","BTWT Cecal_2":"1386724","BTWT Cecal_3":"785024","BTWT Cecal_4":"836466","BTWT Cecal_5":"984321","BTWT Cecal_6":"1003067","BTSPR Cecal_1":"26980","BTSPR Cecal_2":"43906","BTSPR Cecal_3":"19001","BTSPR Cecal_4":"26883","BTSPR Cecal_5":"16882","BTSPR Cecal_6":"24422","GF Cecal_1":"6301","GF Cecal_2":"6520"},{"Metabolite":"CerPE C34","BTWT Cecal_1":"3862591","BTWT Cecal_2":"6830964","BTWT Cecal_3":"3858029","BTWT Cecal_4":"3692484","BTWT Cecal_5":"4320237","BTWT Cecal_6":"3998013","BTSPR Cecal_1":"60420","BTSPR Cecal_2":"115375","BTSPR Cecal_3":"29285","BTSPR Cecal_4":"21032","BTSPR Cecal_5":"16214","BTSPR Cecal_6":"14349","GF Cecal_1":"15163","GF Cecal_2":"13098"},{"Metabolite":"CerPE C35","BTWT Cecal_1":"5378272","BTWT Cecal_2":"10843472","BTWT Cecal_3":"5180907","BTWT Cecal_4":"5287925","BTWT Cecal_5":"5885417","BTWT Cecal_6":"6002600","BTSPR Cecal_1":"93945","BTSPR Cecal_2":"240413","BTSPR Cecal_3":"46520","BTSPR Cecal_4":"72056","BTSPR Cecal_5":"52880","BTSPR Cecal_6":"58651","GF Cecal_1":"21514","GF Cecal_2":"19243"},{"Metabolite":"CerPI C34","BTWT Cecal_1":"3012579","BTWT Cecal_2":"3694098","BTWT Cecal_3":"3035391","BTWT Cecal_4":"2680856","BTWT Cecal_5":"2595707","BTWT Cecal_6":"3216252","BTSPR Cecal_1":"38622","BTSPR Cecal_2":"41811","BTSPR Cecal_3":"6519","BTSPR Cecal_4":"6037","BTSPR Cecal_5":"5023","BTSPR Cecal_6":"5588","GF Cecal_1":"5870","GF Cecal_2":"9927"},{"Metabolite":"CerPI C35","BTWT Cecal_1":"4882946","BTWT Cecal_2":"6759639","BTWT Cecal_3":"4338274","BTWT Cecal_4":"3491555","BTWT Cecal_5":"3490762","BTWT Cecal_6":"4333611","BTSPR Cecal_1":"187620","BTSPR Cecal_2":"243057","BTSPR Cecal_3":"92945","BTSPR Cecal_4":"113464","BTSPR Cecal_5":"106008","BTSPR Cecal_6":"115675","GF Cecal_1":"42905","GF Cecal_2":"43378"},{"Metabolite":"CerPI C36","BTWT Cecal_1":"1812528","BTWT Cecal_2":"2592778","BTWT Cecal_3":"1379598","BTWT Cecal_4":"1163360","BTWT Cecal_5":"1440670","BTWT Cecal_6":"1823557","BTSPR Cecal_1":"19294","BTSPR Cecal_2":"28746","BTSPR Cecal_3":"2958","BTSPR Cecal_4":"6027","BTSPR Cecal_5":"2668","BTSPR Cecal_6":"3126","GF Cecal_1":"3501","GF Cecal_2":"2433"},{"Metabolite":"deoxyketosphingosine iso-C17","BTWT Cecal_1":"59261","BTWT Cecal_2":"164965","BTWT Cecal_3":"53795","BTWT Cecal_4":"63279","BTWT Cecal_5":"70821","BTWT Cecal_6":"90719","BTSPR Cecal_1":"1388","BTSPR Cecal_2":"3563","BTSPR Cecal_3":"1629","BTSPR Cecal_4":"2678","BTSPR Cecal_5":"1659","BTSPR Cecal_6":"2307","GF Cecal_1":"2289","GF Cecal_2":"2081"},{"Metabolite":"DHCer C32","BTWT Cecal_1":"64808","BTWT Cecal_2":"187675","BTWT Cecal_3":"63834","BTWT Cecal_4":"51554","BTWT Cecal_5":"60048","BTWT Cecal_6":"170376","BTSPR Cecal_1":"","BTSPR Cecal_2":"268","BTSPR Cecal_3":"","BTSPR Cecal_4":"9","BTSPR Cecal_5":"","BTSPR Cecal_6":"","GF Cecal_1":"","GF Cecal_2":"85"},{"Metabolite":"DHCer C33","BTWT Cecal_1":"662888","BTWT Cecal_2":"1896326","BTWT Cecal_3":"628566","BTWT Cecal_4":"525142","BTWT Cecal_5":"659152","BTWT Cecal_6":"1358582","BTSPR Cecal_1":"115451","BTSPR Cecal_2":"205832","BTSPR Cecal_3":"68096","BTSPR Cecal_4":"115187","BTSPR Cecal_5":"83623","BTSPR Cecal_6":"105908","GF Cecal_1":"19630","GF Cecal_2":"16352"},{"Metabolite":"DHCer C34","BTWT Cecal_1":"8685514","BTWT Cecal_2":"19504113","BTWT Cecal_3":"7516776","BTWT Cecal_4":"6056461","BTWT Cecal_5":"6367353","BTWT Cecal_6":"11620100","BTSPR Cecal_1":"233162","BTSPR Cecal_2":"806624","BTSPR Cecal_3":"349130","BTSPR Cecal_4":"586160","BTSPR Cecal_5":"371294","BTSPR Cecal_6":"401669","GF Cecal_1":"174159","GF Cecal_2":"177204"},{"Metabolite":"DHCer C35","BTWT Cecal_1":"3048536","BTWT Cecal_2":"9532339","BTWT Cecal_3":"2755820","BTWT Cecal_4":"2292837","BTWT Cecal_5":"2484028","BTWT Cecal_6":"4669782","BTSPR Cecal_1":"8397","BTSPR Cecal_2":"79929","BTSPR Cecal_3":"3995","BTSPR Cecal_4":"14050","BTSPR Cecal_5":"8414","BTSPR Cecal_6":"7866","GF Cecal_1":"","GF Cecal_2":"79"},{"Metabolite":"DHCer C36","BTWT Cecal_1":"1054148","BTWT Cecal_2":"2836077","BTWT Cecal_3":"785638","BTWT Cecal_4":"576948","BTWT Cecal_5":"850504","BTWT Cecal_6":"1753048","BTSPR Cecal_1":"","BTSPR Cecal_2":"5074","BTSPR Cecal_3":"","BTSPR Cecal_4":"93","BTSPR Cecal_5":"","BTSPR Cecal_6":"","GF Cecal_1":"","GF Cecal_2":""},{"Metabolite":"DHCer C37","BTWT Cecal_1":"6516","BTWT Cecal_2":"16990","BTWT Cecal_3":"4352","BTWT Cecal_4":"2046","BTWT Cecal_5":"4662","BTWT Cecal_6":"18916","BTSPR Cecal_1":"","BTSPR Cecal_2":"","BTSPR Cecal_3":"","BTSPR Cecal_4":"209","BTSPR Cecal_5":"140","BTSPR Cecal_6":"","GF Cecal_1":"","GF Cecal_2":""},{"Metabolite":"sphinganine iso-C14","BTWT Cecal_1":"15757","BTWT Cecal_2":"27725","BTWT Cecal_3":"17091","BTWT Cecal_4":"16380","BTWT Cecal_5":"22373","BTWT Cecal_6":"37394","BTSPR Cecal_1":"","BTSPR Cecal_2":"","BTSPR Cecal_3":"","BTSPR Cecal_4":"","BTSPR Cecal_5":"","BTSPR Cecal_6":"","GF Cecal_1":"","GF Cecal_2":""},{"Metabolite":"sphinganine iso-C15","BTWT Cecal_1":"18876","BTWT Cecal_2":"30066","BTWT Cecal_3":"19983","BTWT Cecal_4":"25797","BTWT Cecal_5":"30775","BTWT Cecal_6":"46968","BTSPR Cecal_1":"41","BTSPR Cecal_2":"92","BTSPR Cecal_3":"55","BTSPR Cecal_4":"","BTSPR Cecal_5":"","BTSPR Cecal_6":"","GF Cecal_1":"154","GF Cecal_2":"134"},{"Metabolite":"sphinganine iso-C16","BTWT Cecal_1":"756713","BTWT Cecal_2":"1464118","BTWT Cecal_3":"701667","BTWT Cecal_4":"779130","BTWT Cecal_5":"1110640","BTWT Cecal_6":"1750389","BTSPR Cecal_1":"1024","BTSPR Cecal_2":"14193","BTSPR Cecal_3":"395","BTSPR Cecal_4":"1090","BTSPR Cecal_5":"392","BTSPR Cecal_6":"953","GF Cecal_1":"563","GF Cecal_2":"673"},{"Metabolite":"sphinganine iso-C17","BTWT Cecal_1":"1654176","BTWT Cecal_2":"4441466","BTWT Cecal_3":"1488597","BTWT Cecal_4":"1770732","BTWT Cecal_5":"2021246","BTWT Cecal_6":"2530189","BTSPR Cecal_1":"27311","BTSPR Cecal_2":"86551","BTSPR Cecal_3":"28539","BTSPR Cecal_4":"54253","BTSPR Cecal_5":"34867","BTSPR Cecal_6":"46314","GF Cecal_1":"52155","GF Cecal_2":"46429"},{"Metabolite":"sphinganine iso-C18","BTWT Cecal_1":"367742","BTWT Cecal_2":"712586","BTWT Cecal_3":"235877","BTWT Cecal_4":"197909","BTWT Cecal_5":"326034","BTWT Cecal_6":"667162","BTSPR Cecal_1":"641","BTSPR Cecal_2":"4314","BTSPR Cecal_3":"676","BTSPR Cecal_4":"1452","BTSPR Cecal_5":"821","BTSPR Cecal_6":"1130","GF Cecal_1":"499","GF Cecal_2":"467"},{"Metabolite":"sphinganine iso-C19","BTWT Cecal_1":"153117","BTWT Cecal_2":"360287","BTWT Cecal_3":"106139","BTWT Cecal_4":"107782","BTWT Cecal_5":"149998","BTWT Cecal_6":"277502","BTSPR Cecal_1":"24405","BTSPR Cecal_2":"77314","BTSPR Cecal_3":"34408","BTSPR Cecal_4":"63869","BTSPR Cecal_5":"39594","BTSPR Cecal_6":"48342","GF Cecal_1":"19309","GF Cecal_2":"17644"},{"Metabolite":"Ceramide (d18:1) C14:0","BTWT Cecal_1":"12554","BTWT Cecal_2":"18907","BTWT Cecal_3":"8599","BTWT Cecal_4":"15157","BTWT Cecal_5":"12860","BTWT Cecal_6":"49708","BTSPR Cecal_1":"10743","BTSPR Cecal_2":"51146","BTSPR Cecal_3":"39116","BTSPR Cecal_4":"71666","BTSPR Cecal_5":"40480","BTSPR Cecal_6":"39728","GF Cecal_1":"34797","GF Cecal_2":"36563"},{"Metabolite":"Ceramide (d18:1) C15:1","BTWT Cecal_1":"29976","BTWT Cecal_2":"86458","BTWT Cecal_3":"36102","BTWT Cecal_4":"30209","BTWT Cecal_5":"47854","BTWT Cecal_6":"76453","BTSPR Cecal_1":"","BTSPR Cecal_2":"95","BTSPR Cecal_3":"","BTSPR Cecal_4":"","BTSPR Cecal_5":"","BTSPR Cecal_6":"","GF Cecal_1":"","GF Cecal_2":""},{"Metabolite":"Ceramide (d18:1) C15:0","BTWT Cecal_1":"38432","BTWT 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Cecal_2":"1680846"},{"Metabolite":"TAG C54:7","BTWT Cecal_1":"1828956","BTWT Cecal_2":"840099","BTWT Cecal_3":"83999","BTWT Cecal_4":"499787","BTWT Cecal_5":"1132978","BTWT Cecal_6":"865591","BTSPR Cecal_1":"2062507","BTSPR Cecal_2":"2091648","BTSPR Cecal_3":"377226","BTSPR Cecal_4":"1078062","BTSPR Cecal_5":"532388","BTSPR Cecal_6":"976264","GF Cecal_1":"857165","GF Cecal_2":"448830"},{"Metabolite":"TAG C54:9","BTWT Cecal_1":"7094","BTWT Cecal_2":"370","BTWT Cecal_3":"0","BTWT Cecal_4":"87","BTWT Cecal_5":"5958","BTWT Cecal_6":"47131","BTSPR Cecal_1":"1399","BTSPR Cecal_2":"10912","BTSPR Cecal_3":"12916","BTSPR Cecal_4":"35894","BTSPR Cecal_5":"14938","BTSPR Cecal_6":"32789","GF Cecal_1":"39059","GF Cecal_2":"19281"},{"Metabolite":"TAG C55:2","BTWT Cecal_1":"20015","BTWT Cecal_2":"196","BTWT Cecal_3":"237","BTWT Cecal_4":"10132","BTWT Cecal_5":"2058","BTWT Cecal_6":"1794","BTSPR Cecal_1":"5903","BTSPR Cecal_2":"39325","BTSPR Cecal_3":"5326","BTSPR Cecal_4":"6171","BTSPR Cecal_5":"1449","BTSPR Cecal_6":"6784","GF Cecal_1":"5912","GF Cecal_2":"1211"},{"Metabolite":"TAG C55:3","BTWT Cecal_1":"16685","BTWT Cecal_2":"","BTWT Cecal_3":"","BTWT Cecal_4":"13611","BTWT Cecal_5":"2443","BTWT Cecal_6":"3491","BTSPR Cecal_1":"10652","BTSPR Cecal_2":"65067","BTSPR Cecal_3":"7140","BTSPR Cecal_4":"8701","BTSPR Cecal_5":"1567","BTSPR Cecal_6":"7472","GF Cecal_1":"13054","GF Cecal_2":"2787"},{"Metabolite":"TAG C55:4","BTWT Cecal_1":"12486","BTWT Cecal_2":"385","BTWT Cecal_3":"247","BTWT Cecal_4":"12499","BTWT Cecal_5":"4255","BTWT Cecal_6":"5610","BTSPR Cecal_1":"15888","BTSPR Cecal_2":"54747","BTSPR Cecal_3":"6957","BTSPR Cecal_4":"10904","BTSPR Cecal_5":"3234","BTSPR Cecal_6":"8773","GF Cecal_1":"12204","GF Cecal_2":"2365"},{"Metabolite":"TAG C56:2","BTWT Cecal_1":"111647","BTWT Cecal_2":"24157","BTWT Cecal_3":"5605","BTWT Cecal_4":"51386","BTWT Cecal_5":"41136","BTWT Cecal_6":"42680","BTSPR Cecal_1":"76528","BTSPR Cecal_2":"193107","BTSPR Cecal_3":"32636","BTSPR Cecal_4":"47698","BTSPR Cecal_5":"21704","BTSPR Cecal_6":"43500","GF Cecal_1":"39120","GF Cecal_2":"15541"},{"Metabolite":"TAG C56:3","BTWT Cecal_1":"170477","BTWT Cecal_2":"39691","BTWT Cecal_3":"12175","BTWT Cecal_4":"102338","BTWT Cecal_5":"74954","BTWT Cecal_6":"81508","BTSPR Cecal_1":"150600","BTSPR Cecal_2":"450538","BTSPR Cecal_3":"74900","BTSPR Cecal_4":"99597","BTSPR Cecal_5":"39693","BTSPR Cecal_6":"92781","GF Cecal_1":"93091","GF Cecal_2":"34730"},{"Metabolite":"TAG C56:4","BTWT Cecal_1":"222393","BTWT Cecal_2":"67282","BTWT Cecal_3":"16213","BTWT Cecal_4":"137829","BTWT Cecal_5":"123297","BTWT Cecal_6":"106198","BTSPR Cecal_1":"252432","BTSPR Cecal_2":"556843","BTSPR Cecal_3":"103050","BTSPR Cecal_4":"146464","BTSPR Cecal_5":"55147","BTSPR Cecal_6":"126544","GF Cecal_1":"131126","GF Cecal_2":"48876"},{"Metabolite":"TAG C56:5","BTWT Cecal_1":"215562","BTWT Cecal_2":"59884","BTWT Cecal_3":"9260","BTWT Cecal_4":"118527","BTWT Cecal_5":"114662","BTWT Cecal_6":"113110","BTSPR Cecal_1":"279090","BTSPR Cecal_2":"434228","BTSPR Cecal_3":"87641","BTSPR Cecal_4":"159411","BTSPR Cecal_5":"53866","BTSPR Cecal_6":"114289","GF Cecal_1":"131598","GF Cecal_2":"57144"},{"Metabolite":"TAG C58:10","BTWT Cecal_1":"41026","BTWT Cecal_2":"2383","BTWT Cecal_3":"219","BTWT Cecal_4":"24296","BTWT Cecal_5":"13828","BTWT Cecal_6":"97866","BTSPR Cecal_1":"8663","BTSPR Cecal_2":"107883","BTSPR Cecal_3":"60492","BTSPR Cecal_4":"124843","BTSPR Cecal_5":"46419","BTSPR Cecal_6":"76485","GF Cecal_1":"162831","GF Cecal_2":"79725"},{"Metabolite":"TAG C58:2","BTWT Cecal_1":"44060","BTWT Cecal_2":"4417","BTWT Cecal_3":"792","BTWT Cecal_4":"15783","BTWT Cecal_5":"16257","BTWT Cecal_6":"11707","BTSPR Cecal_1":"39430","BTSPR Cecal_2":"52882","BTSPR Cecal_3":"4269","BTSPR Cecal_4":"13621","BTSPR Cecal_5":"6225","BTSPR Cecal_6":"13800","GF Cecal_1":"13247","GF Cecal_2":"4572"},{"Metabolite":"TAG C58:3","BTWT Cecal_1":"49422","BTWT Cecal_2":"9655","BTWT Cecal_3":"429","BTWT Cecal_4":"23229","BTWT Cecal_5":"20027","BTWT Cecal_6":"17563","BTSPR Cecal_1":"46835","BTSPR Cecal_2":"78767","BTSPR Cecal_3":"9208","BTSPR Cecal_4":"21991","BTSPR Cecal_5":"7444","BTSPR Cecal_6":"19727","GF Cecal_1":"19119","GF Cecal_2":"6796"},{"Metabolite":"TAG C58:4","BTWT Cecal_1":"59619","BTWT Cecal_2":"10714","BTWT Cecal_3":"288","BTWT Cecal_4":"15982","BTWT Cecal_5":"26773","BTWT Cecal_6":"21659","BTSPR Cecal_1":"59756","BTSPR Cecal_2":"80110","BTSPR Cecal_3":"9763","BTSPR Cecal_4":"27364","BTSPR Cecal_5":"8529","BTSPR Cecal_6":"23260","GF Cecal_1":"21927","GF Cecal_2":"7699"}],

"Metabolites":[{"Metabolite":"1-deoxysphinganine iso-C16","quantified m/z":"272.2948","rtimes":"4.22","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-deoxysphinganine (iso-16:0)"},{"Metabolite":"1-deoxysphinganine iso-C17","quantified m/z":"286.3105","rtimes":"4.48","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-deoxysphinganine (iso-17:0)"},{"Metabolite":"1-deoxysphinganine iso-C18","quantified m/z":"300.3261","rtimes":"4.68","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-deoxysphinganine (iso-18:0)"},{"Metabolite":"3-ketosphinganine iso-C16","quantified m/z":"286.2741","rtimes":"4.13","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-ketoysphinganine (iso-16:0)"},{"Metabolite":"3-ketosphinganine iso-C17","quantified m/z":"300.2899","rtimes":"4.22","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-ketosphinganine (iso-17:0)"},{"Metabolite":"3-ketosphinganine iso-C18","quantified m/z":"314.3053","rtimes":"4.4","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"1-ketoysphinganine (iso-18:0)"},{"Metabolite":"CerPE C32","quantified m/z":"651.508","rtimes":"7.29","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"CerPE (iso-d15:0/iso-15:0 (3OH))"},{"Metabolite":"CerPE C33","quantified m/z":"665.5223","rtimes":"7.54","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"CerPE (iso-d15:0/iso-16:0 (3OH))"},{"Metabolite":"CerPE C34","quantified m/z":"679.5389","rtimes":"7.78","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"CerPE (iso-d16:0/iso-16:0 (3OH))"},{"Metabolite":"CerPE C35","quantified m/z":"693.5533","rtimes":"8.08","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"CerPE (iso-d16:0/iso-17:0 (3OH))"},{"Metabolite":"CerPI C34","quantified m/z":"798.5493","rtimes":"7.47","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"PI-Cer (iso-d16:0/iso-16:0 (3OH))"},{"Metabolite":"CerPI C35","quantified m/z":"812.5661","rtimes":"7.78","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"PI-Cer (iso-d16:0/iso-17:0 (3OH))"},{"Metabolite":"CerPI C36","quantified m/z":"826.5804","rtimes":"8","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"PI-Cer (iso-d16:0/iso-18:0 (3OH))"},{"Metabolite":"DHCer C32","quantified m/z":"528.4991","rtimes":"7.43","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d15:0/iso-15:0 (3OH))"},{"Metabolite":"DHCer C33","quantified m/z":"542.5147","rtimes":"7.65","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d15:0/iso-16:0 (3OH))"},{"Metabolite":"DHCer C34","quantified m/z":"556.5303","rtimes":"7.91","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d16:0/iso-16:0 (3OH))"},{"Metabolite":"DHCer C35","quantified m/z":"570.546","rtimes":"8.21","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d16:0/iso-17:0 (3OH))"},{"Metabolite":"DHCer C36","quantified m/z":"584.5613","rtimes":"8.4","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d16:0/iso-18:0 (3OH))"},{"Metabolite":"DHCer C37","quantified m/z":"598.5772","rtimes":"8.7","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"Cer (iso-d16:0/iso-19:0 (3OH))"},{"Metabolite":"sphinganine iso-C14","quantified m/z":"260.2584","rtimes":"3.87","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d14:0"},{"Metabolite":"sphinganine iso-C15","quantified m/z":"274.274","rtimes":"3.99","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d15:0"},{"Metabolite":"sphinganine iso-C16","quantified m/z":"288.2897","rtimes":"4.11","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d16:0"},{"Metabolite":"sphinganine iso-C17","quantified m/z":"302.3055","rtimes":"4.34","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d17:0"},{"Metabolite":"sphinganine iso-C18","quantified m/z":"316.3211","rtimes":"4.51","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d18:0"},{"Metabolite":"sphinganine iso-C19","quantified m/z":"330.3367","rtimes":"4.83","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":"sphinganine iso-d19:0"},{"Metabolite":"PE C42:1","quantified m/z":"830.6636","rtimes":"10.22","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C43:1","quantified m/z":"844.684","rtimes":"10.29","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"deoxyketosphingosine iso-C17","quantified m/z":"284.2949","rtimes":"4.34","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C14:0","quantified m/z":"510.4888","rtimes":"7.86","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C15:1","quantified m/z":"522.4885","rtimes":"7.53","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C15:0","quantified m/z":"524.5043","rtimes":"8.12","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C16:1","quantified m/z":"536.5043","rtimes":"7.93","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C16:0","quantified m/z":"538.52","rtimes":"8.37","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C17:2","quantified m/z":"548.504","rtimes":"7.73","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C17:1","quantified m/z":"550.5197","rtimes":"8.06","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C17:0","quantified m/z":"552.5356","rtimes":"8.61","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C18:1","quantified m/z":"564.5362","rtimes":"8.54","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C18:0","quantified m/z":"566.5512","rtimes":"8.85","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C19:1","quantified m/z":"578.5506","rtimes":"8.55","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C19:0","quantified m/z":"580.5665","rtimes":"8.87","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C20:2","quantified m/z":"590.5504","rtimes":"8.71","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C20:0","quantified m/z":"594.5826","rtimes":"9.29","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C21:0","quantified m/z":"608.5984","rtimes":"9.54","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C22:2","quantified m/z":"618.5802","rtimes":"9.41","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C22:1","quantified m/z":"620.5983","rtimes":"9.38","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C22:0","quantified m/z":"622.614","rtimes":"9.72","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C23:1","quantified m/z":"634.6142","rtimes":"9.58","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C23:0","quantified m/z":"636.6299","rtimes":"9.94","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C24:2","quantified m/z":"646.6137","rtimes":"9.49","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C24:1","quantified m/z":"648.6293","rtimes":"9.77","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"Ceramide (d18:1) C24:0","quantified m/z":"650.6452","rtimes":"10.12","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"LPC C14:0","quantified m/z":"468.3089","rtimes":"4.32","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64483","Detailed Annotation":""},{"Metabolite":"LPC C15:0","quantified m/z":"482.3247","rtimes":"4.56","Adduct":"[M+H]+","ChEBI ID":"CHEBI:72736","Detailed Annotation":""},{"Metabolite":"LPC C16:0","quantified m/z":"496.3403","rtimes":"4.83","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64563","Detailed Annotation":""},{"Metabolite":"LPC C17:0","quantified m/z":"510.3561","rtimes":"5.11","Adduct":"[M+H]+","ChEBI ID":"CHEBI:72737","Detailed Annotation":""},{"Metabolite":"LPC C18:0","quantified m/z":"524.3717","rtimes":"5.41","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64561","Detailed Annotation":""},{"Metabolite":"LPC C18:1","quantified m/z":"522.3561","rtimes":"5","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64566","Detailed Annotation":""},{"Metabolite":"LPC C22:6","quantified m/z":"568.3406","rtimes":"4.67","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64567","Detailed Annotation":""},{"Metabolite":"LPE C14:0","quantified m/z":"426.2617","rtimes":"4.34","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"LPE C15:0","quantified m/z":"440.2776","rtimes":"4.51","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"LPE C16:0","quantified m/z":"454.293","rtimes":"4.85","Adduct":"[M+H]+","ChEBI ID":"CHEBI:90452","Detailed Annotation":""},{"Metabolite":"LPE C17:0","quantified m/z":"468.3091","rtimes":"5.07","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"LPE C18:0","quantified m/z":"482.3245","rtimes":"5.28","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64576","Detailed Annotation":""},{"Metabolite":"LPE C18:1","quantified m/z":"480.3089","rtimes":"4.91","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64575","Detailed Annotation":""},{"Metabolite":"LPE C18:2","quantified m/z":"478.2935","rtimes":"4.58","Adduct":"[M+H]+","ChEBI ID":"CHEBI:91296","Detailed Annotation":""},{"Metabolite":"LPE C20:4","quantified m/z":"502.2935","rtimes":"4.6","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64569","Detailed Annotation":""},{"Metabolite":"LPE C22:6","quantified m/z":"526.294","rtimes":"4.58","Adduct":"[M+H]+","ChEBI ID":"CHEBI:72734","Detailed Annotation":""},{"Metabolite":"LPE-plasmalogen C16:0","quantified m/z":"440.315","rtimes":"5.19","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"4-cholesten-3-one","quantified m/z":"385.3468","rtimes":"7.2","Adduct":"[M+H]+","ChEBI ID":"CHEBI:16175","Detailed Annotation":""},{"Metabolite":"oleamide","quantified m/z":"282.2793","rtimes":"5.24","Adduct":"[M+H]+","ChEBI ID":"CHEBI:116314","Detailed Annotation":""},{"Metabolite":"sphingosine","quantified m/z":"300.2898","rtimes":"5","Adduct":"[M+H]+","ChEBI ID":"CHEBI:16393","Detailed Annotation":""},{"Metabolite":"cholesterol","quantified m/z":"369.3519","rtimes":"7.41","Adduct":"[M-H2O+H]+","ChEBI ID":"CHEBI:16113","Detailed Annotation":""},{"Metabolite":"PC C24:0","quantified m/z":"622.4446","rtimes":"6.53","Adduct":"[M+H]+","ChEBI ID":"CHEBI:85564","Detailed Annotation":""},{"Metabolite":"PC C28:0","quantified m/z":"678.5072","rtimes":"7.67","Adduct":"[M+H]+","ChEBI ID":"CHEBI:65294","Detailed Annotation":""},{"Metabolite":"PC C29:0","quantified m/z":"692.5228","rtimes":"7.95","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134575","Detailed Annotation":""},{"Metabolite":"PC C30:0","quantified m/z":"706.5385","rtimes":"8.18","Adduct":"[M+H]+","ChEBI ID":"CHEBI:65303","Detailed Annotation":""},{"Metabolite":"PC C30:1","quantified m/z":"704.5231","rtimes":"7.84","Adduct":"[M+H]+","ChEBI ID":"CHEBI:65302","Detailed Annotation":""},{"Metabolite":"PC C31:0","quantified m/z":"720.554","rtimes":"8.43","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134487","Detailed Annotation":""},{"Metabolite":"PC C31:1","quantified m/z":"718.5388","rtimes":"8.14","Adduct":"[M+H]+","ChEBI ID":"CHEBI:72426","Detailed Annotation":""},{"Metabolite":"PC C32:0","quantified m/z":"734.57","rtimes":"8.67","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66850","Detailed Annotation":""},{"Metabolite":"PC C32:2","quantified m/z":"730.5388","rtimes":"8","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66848","Detailed Annotation":""},{"Metabolite":"PC C33:1","quantified m/z":"746.5701","rtimes":"8.58","Adduct":"[M+H]+","ChEBI ID":"CHEBI:86472","Detailed Annotation":""},{"Metabolite":"PC C34:0","quantified m/z":"762.6009","rtimes":"9.11","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66855","Detailed Annotation":""},{"Metabolite":"PC C34:1","quantified m/z":"760.5856","rtimes":"8.81","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64517","Detailed Annotation":""},{"Metabolite":"PC C34:2","quantified m/z":"758.5698","rtimes":"8.5","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64516","Detailed Annotation":""},{"Metabolite":"PC C35:1","quantified m/z":"774.6012","rtimes":"9.03","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134273","Detailed Annotation":""},{"Metabolite":"PC C35:2","quantified m/z":"772.5856","rtimes":"8.74","Adduct":"[M+H]+","ChEBI ID":"CHEBI:85766","Detailed Annotation":""},{"Metabolite":"PC C36:0","quantified m/z":"790.6319","rtimes":"9.52","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66858","Detailed Annotation":""},{"Metabolite":"PC C36:1","quantified m/z":"788.6169","rtimes":"9.25","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66857","Detailed Annotation":""},{"Metabolite":"PC C36:2","quantified m/z":"786.6012","rtimes":"8.97","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64433","Detailed Annotation":""},{"Metabolite":"PC C36:3","quantified m/z":"784.5854","rtimes":"8.65","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64523","Detailed Annotation":""},{"Metabolite":"PC C36:4","quantified m/z":"782.5692","rtimes":"8.32","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64520","Detailed Annotation":""},{"Metabolite":"PC C37:3","quantified m/z":"798.6013","rtimes":"8.9","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134648","Detailed Annotation":""},{"Metabolite":"PC C38:1","quantified m/z":"816.6487","rtimes":"9.66","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66860","Detailed Annotation":""},{"Metabolite":"PC C38:2","quantified m/z":"814.633","rtimes":"9.34","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66859","Detailed Annotation":""},{"Metabolite":"PC C38:4","quantified m/z":"810.6009","rtimes":"8.99","Adduct":"[M+H]+","ChEBI ID":"CHEBI:64526","Detailed Annotation":""},{"Metabolite":"PC C40:1","quantified m/z":"844.6792","rtimes":"10.04","Adduct":"[M+H]+","ChEBI ID":"CHEBI:66865","Detailed Annotation":""},{"Metabolite":"PC-plasmalogen C34:0","quantified m/z":"748.622","rtimes":"9.41","Adduct":"[M+H]+","ChEBI ID":"CHEBI:67077","Detailed Annotation":""},{"Metabolite":"PC-plasmalogen C34:1","quantified m/z":"746.6054","rtimes":"9.11","Adduct":"[M+H]+","ChEBI ID":"CHEBI:67076","Detailed Annotation":""},{"Metabolite":"PC-plasmalogen C36:1","quantified m/z":"774.6374","rtimes":"9.53","Adduct":"[M+H]+","ChEBI ID":"CHEBI:67066","Detailed Annotation":""},{"Metabolite":"PE C29:0","quantified m/z":"650.4761","rtimes":"7.89","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C30:0","quantified m/z":"664.4919","rtimes":"8.13","Adduct":"[M+H]+","ChEBI ID":"CHEBI:71704","Detailed Annotation":""},{"Metabolite":"PE C31:0","quantified m/z":"678.5074","rtimes":"8.38","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C32:0","quantified m/z":"692.5233","rtimes":"8.57","Adduct":"[M+H]+","ChEBI ID":"CHEBI:71711","Detailed Annotation":""},{"Metabolite":"PE C33:0","quantified m/z":"706.5384","rtimes":"8.86","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C33:1","quantified m/z":"704.5232","rtimes":"8.54","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C33:2","quantified m/z":"702.5074","rtimes":"8.21","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134446","Detailed Annotation":""},{"Metabolite":"PE C33:3","quantified m/z":"700.4914","rtimes":"7.9","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C34:1","quantified m/z":"718.5386","rtimes":"8.81","Adduct":"[M+H]+","ChEBI ID":"CHEBI:71720","Detailed Annotation":""},{"Metabolite":"PE C35:1","quantified m/z":"732.5547","rtimes":"8.99","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134264","Detailed Annotation":""},{"Metabolite":"PE C35:2","quantified m/z":"730.5394","rtimes":"8.69","Adduct":"[M+H]+","ChEBI ID":"CHEBI:136160","Detailed Annotation":""},{"Metabolite":"PE C35:3","quantified m/z":"728.5234","rtimes":"8.41","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C36:1","quantified m/z":"746.5701","rtimes":"9.25","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134451","Detailed Annotation":""},{"Metabolite":"PE C36:2","quantified m/z":"744.5543","rtimes":"8.97","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C36:3","quantified m/z":"742.539","rtimes":"8.64","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C37:1","quantified m/z":"760.5881","rtimes":"9.45","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C37:2","quantified m/z":"758.5709","rtimes":"9.2","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134265","Detailed Annotation":""},{"Metabolite":"PE C38:1","quantified m/z":"774.6028","rtimes":"9.66","Adduct":"[M+H]+","ChEBI ID":"CHEBI:71734","Detailed Annotation":""},{"Metabolite":"PE C38:2","quantified m/z":"772.587","rtimes":"9.34","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C38:3","quantified m/z":"770.57","rtimes":"9.12","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE C39:1","quantified m/z":"788.6169","rtimes":"9.82","Adduct":"[M+H]+","ChEBI ID":"CHEBI:134240","Detailed Annotation":""},{"Metabolite":"PE C38:4","quantified m/z":"768.5548","rtimes":"8.99","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C33:3","quantified m/z":"686.5122","rtimes":"8.53","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C34:1","quantified m/z":"704.56","rtimes":"8.92","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C42:2","quantified m/z":"814.6712","rtimes":"10.44","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C42:3","quantified m/z":"812.656","rtimes":"10.44","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C42:5","quantified m/z":"808.6224","rtimes":"9.92","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"PE-plasmalogen C29:0","quantified m/z":"636.497","rtimes":"7.97","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C14:0","quantified m/z":"675.5437","rtimes":"7.71","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C15:0","quantified m/z":"689.5596","rtimes":"7.96","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C16:0","quantified m/z":"703.575","rtimes":"8.22","Adduct":"[M+H]+","ChEBI ID":"CHEBI:91065","Detailed Annotation":""},{"Metabolite":"SM C18:0","quantified m/z":"731.6064","rtimes":"8.72","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C19:2","quantified m/z":"741.5907","rtimes":"8.4","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C20:0","quantified m/z":"759.6365","rtimes":"9.19","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C22:0","quantified m/z":"787.6702","rtimes":"9.61","Adduct":"[M+H]+","ChEBI ID":"CHEBI:91066","Detailed Annotation":""},{"Metabolite":"SM C22:1","quantified m/z":"785.6553","rtimes":"9.27","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C24:0","quantified m/z":"815.7035","rtimes":"10.02","Adduct":"[M+H]+","ChEBI ID":"CHEBI:91067","Detailed Annotation":""},{"Metabolite":"SM C24:1","quantified m/z":"813.6847","rtimes":"9.66","Adduct":"[M+H]+","ChEBI ID":"CHEBI:91068","Detailed Annotation":""},{"Metabolite":"SM C24:2","quantified m/z":"811.6712","rtimes":"9.38","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"SM C20:4","quantified m/z":"751.574","rtimes":"7.62","Adduct":"[M+H]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C16:0","quantified m/z":"642.6192","rtimes":"12.04","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C16:1","quantified m/z":"640.6037","rtimes":"11.73","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C17:0","quantified m/z":"656.6347","rtimes":"12.23","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C17:1","quantified m/z":"654.6192","rtimes":"11.91","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C17:3","quantified m/z":"650.5881","rtimes":"11.36","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C18:0","quantified m/z":"670.6505","rtimes":"12.44","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C18:1","quantified m/z":"668.6348","rtimes":"12.12","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C18:2","quantified m/z":"666.6191","rtimes":"11.82","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C18:3","quantified m/z":"664.6034","rtimes":"11.55","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C19:1","quantified m/z":"682.6503","rtimes":"12.21","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C19:2","quantified m/z":"680.6346","rtimes":"12.02","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C19:3","quantified m/z":"678.619","rtimes":"11.73","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C20:1","quantified m/z":"696.6662","rtimes":"12.54","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C20:2","quantified m/z":"694.6501","rtimes":"12.21","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C20:3","quantified m/z":"692.6347","rtimes":"11.91","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C22:1","quantified m/z":"724.6979","rtimes":"12.99","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"CE C22:3","quantified m/z":"720.6658","rtimes":"12.17","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"MAG C14:0","quantified m/z":"325.2351","rtimes":"4.65","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:87249","Detailed Annotation":""},{"Metabolite":"MAG C16:0","quantified m/z":"353.2664","rtimes":"5.21","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:87251","Detailed Annotation":""},{"Metabolite":"MAG C16:1","quantified m/z":"351.2508","rtimes":"5.03","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:87253","Detailed Annotation":""},{"Metabolite":"MAG C17:0","quantified m/z":"367.2822","rtimes":"5.51","Adduct":"[M+Na]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"MAG C18:0","quantified m/z":"381.2978","rtimes":"5.85","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:87255","Detailed Annotation":""},{"Metabolite":"MAG C18:1","quantified m/z":"379.282","rtimes":"5.38","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:87256","Detailed Annotation":""},{"Metabolite":"MAG C20:5","quantified m/z":"399.2504","rtimes":"0.33","Adduct":"[M+Na]+","ChEBI ID":"CHEBI:86397","Detailed Annotation":""},{"Metabolite":"MAG C22:0","quantified m/z":"437.3605","rtimes":"7.2","Adduct":"[M+Na]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"MAG C22:1","quantified m/z":"435.3454","rtimes":"7.17","Adduct":"[M+Na]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"MAG C15:0","quantified m/z":"339.2508","rtimes":"4.76","Adduct":"[M+Na]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C30:0","quantified m/z":"558.5096","rtimes":"8.69","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85683","Detailed Annotation":""},{"Metabolite":"DAG C30:2","quantified m/z":"554.4788","rtimes":"8.1","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85722","Detailed Annotation":""},{"Metabolite":"DAG C31:0","quantified m/z":"572.5254","rtimes":"8.92","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C31:2","quantified m/z":"568.494","rtimes":"8.34","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C32:0","quantified m/z":"586.5409","rtimes":"9.2","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85688","Detailed Annotation":""},{"Metabolite":"DAG C32:1","quantified m/z":"584.5254","rtimes":"8.88","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85687","Detailed Annotation":""},{"Metabolite":"DAG C32:2","quantified m/z":"582.5099","rtimes":"8.55","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85686","Detailed Annotation":""},{"Metabolite":"DAG C32:3","quantified m/z":"580.4945","rtimes":"8.24","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85685","Detailed Annotation":""},{"Metabolite":"DAG C33:1","quantified m/z":"598.5411","rtimes":"9.11","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85690","Detailed Annotation":""},{"Metabolite":"DAG C34:0","quantified m/z":"614.5726","rtimes":"9.61","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:86974","Detailed Annotation":""},{"Metabolite":"DAG C34:1","quantified m/z":"612.5568","rtimes":"9.32","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85694","Detailed Annotation":""},{"Metabolite":"DAG C34:2","quantified m/z":"610.5412","rtimes":"9.02","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85693","Detailed Annotation":""},{"Metabolite":"DAG C34:3","quantified m/z":"608.5256","rtimes":"8.74","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85692","Detailed Annotation":""},{"Metabolite":"DAG C35:1","quantified m/z":"626.5724","rtimes":"9.53","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85697","Detailed Annotation":""},{"Metabolite":"DAG C35:2","quantified m/z":"624.5566","rtimes":"9.24","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85696","Detailed Annotation":""},{"Metabolite":"DAG C35:3","quantified m/z":"622.5404","rtimes":"8.93","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85695","Detailed Annotation":""},{"Metabolite":"DAG C36:0","quantified m/z":"642.6036","rtimes":"10.01","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:86987","Detailed Annotation":""},{"Metabolite":"DAG C36:1","quantified m/z":"640.5878","rtimes":"9.73","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:86980","Detailed Annotation":""},{"Metabolite":"DAG C36:2","quantified m/z":"638.5726","rtimes":"9.45","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85701","Detailed Annotation":""},{"Metabolite":"DAG C36:3","quantified m/z":"636.5565","rtimes":"9.15","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85700","Detailed Annotation":""},{"Metabolite":"DAG C36:4","quantified m/z":"634.541","rtimes":"8.85","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85699","Detailed Annotation":""},{"Metabolite":"DAG C37:2","quantified m/z":"652.5883","rtimes":"9.66","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C37:4","quantified m/z":"648.5561","rtimes":"9.2","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C38:1","quantified m/z":"668.6196","rtimes":"10.13","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85707","Detailed Annotation":""},{"Metabolite":"DAG C38:2","quantified m/z":"666.604","rtimes":"9.87","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:86984","Detailed Annotation":""},{"Metabolite":"DAG C38:3","quantified m/z":"664.5876","rtimes":"9.55","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85706","Detailed Annotation":""},{"Metabolite":"DAG C38:4","quantified m/z":"662.572","rtimes":"9.3","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85705","Detailed Annotation":""},{"Metabolite":"DAG C38:5","quantified m/z":"660.5569","rtimes":"9.14","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85704","Detailed Annotation":""},{"Metabolite":"DAG C38:6","quantified m/z":"658.5407","rtimes":"8.84","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85703","Detailed Annotation":""},{"Metabolite":"DAG C39:0","quantified m/z":"684.6522","rtimes":"10.57","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C39:4","quantified m/z":"676.5898","rtimes":"9.62","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C40:1","quantified m/z":"696.652","rtimes":"10.52","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C40:2","quantified m/z":"694.6356","rtimes":"10.27","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"DAG C40:6","quantified m/z":"686.5724","rtimes":"9.38","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85709","Detailed Annotation":""},{"Metabolite":"DAG C33:2","quantified m/z":"596.5252","rtimes":"8.89","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85689","Detailed Annotation":""},{"Metabolite":"DAG C37:1","quantified m/z":"654.6041","rtimes":"9.94","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85857","Detailed Annotation":""},{"Metabolite":"TAG C42:0","quantified m/z":"740.6774","rtimes":"10.92","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90293","Detailed Annotation":""},{"Metabolite":"TAG C43:0","quantified m/z":"754.6922","rtimes":"11.07","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C44:0","quantified m/z":"768.7077","rtimes":"11.26","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90296","Detailed Annotation":""},{"Metabolite":"TAG C44:1","quantified m/z":"766.6923","rtimes":"11.04","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90297","Detailed Annotation":""},{"Metabolite":"TAG C45:0","quantified m/z":"782.7238","rtimes":"11.41","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90300","Detailed Annotation":""},{"Metabolite":"TAG C45:1","quantified m/z":"780.7083","rtimes":"11.21","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C45:2","quantified m/z":"778.6923","rtimes":"11","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C46:0","quantified m/z":"796.7394","rtimes":"11.59","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85868","Detailed Annotation":""},{"Metabolite":"TAG C46:1","quantified m/z":"794.724","rtimes":"11.35","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85869","Detailed Annotation":""},{"Metabolite":"TAG C46:2","quantified m/z":"792.7083","rtimes":"11.18","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:77447","Detailed Annotation":""},{"Metabolite":"TAG C46:3","quantified m/z":"790.6926","rtimes":"10.88","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132009","Detailed Annotation":""},{"Metabolite":"TAG C47:0","quantified m/z":"810.7555","rtimes":"11.74","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85822","Detailed Annotation":""},{"Metabolite":"TAG C47:1","quantified m/z":"808.7393","rtimes":"11.54","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85724","Detailed Annotation":""},{"Metabolite":"TAG C47:2","quantified m/z":"806.723","rtimes":"11.34","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132731","Detailed Annotation":""},{"Metabolite":"TAG C48:0","quantified m/z":"824.7709","rtimes":"11.92","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85870","Detailed Annotation":""},{"Metabolite":"TAG C48:1","quantified m/z":"822.7553","rtimes":"11.68","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85726","Detailed Annotation":""},{"Metabolite":"TAG C48:2","quantified m/z":"820.7397","rtimes":"11.43","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85725","Detailed Annotation":""},{"Metabolite":"TAG C48:3","quantified m/z":"818.7241","rtimes":"11.2","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85871","Detailed Annotation":""},{"Metabolite":"TAG C48:4","quantified m/z":"816.7066","rtimes":"10.95","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85825","Detailed Annotation":""},{"Metabolite":"TAG C49:0","quantified m/z":"838.7864","rtimes":"12.08","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85826","Detailed Annotation":""},{"Metabolite":"TAG C49:1","quantified m/z":"836.7707","rtimes":"11.85","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85728","Detailed Annotation":""},{"Metabolite":"TAG C49:3","quantified m/z":"832.7389","rtimes":"11.46","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85828","Detailed Annotation":""},{"Metabolite":"TAG C50:0","quantified m/z":"852.8022","rtimes":"12.27","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85874","Detailed Annotation":""},{"Metabolite":"TAG C50:1","quantified m/z":"850.7865","rtimes":"12.01","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:84665","Detailed Annotation":""},{"Metabolite":"TAG C50:2","quantified m/z":"848.7709","rtimes":"11.77","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:84662","Detailed Annotation":""},{"Metabolite":"TAG C50:3","quantified m/z":"846.755","rtimes":"11.53","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85729","Detailed Annotation":""},{"Metabolite":"TAG C50:4","quantified m/z":"844.7397","rtimes":"11.28","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85832","Detailed Annotation":""},{"Metabolite":"TAG C51:0","quantified m/z":"866.8174","rtimes":"12.44","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C51:1","quantified m/z":"864.8021","rtimes":"12.18","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85733","Detailed Annotation":""},{"Metabolite":"TAG C51:2","quantified m/z":"862.7865","rtimes":"11.94","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85732","Detailed Annotation":""},{"Metabolite":"TAG C51:3","quantified m/z":"860.7707","rtimes":"11.69","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85731","Detailed Annotation":""},{"Metabolite":"TAG C51:5","quantified m/z":"856.7408","rtimes":"11.28","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C52:0","quantified m/z":"880.834","rtimes":"12.64","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C52:1","quantified m/z":"878.8178","rtimes":"12.35","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90302","Detailed Annotation":""},{"Metabolite":"TAG C52:2","quantified m/z":"876.802","rtimes":"12.1","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85736","Detailed Annotation":""},{"Metabolite":"TAG C52:3","quantified m/z":"874.7865","rtimes":"11.85","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:84661","Detailed Annotation":""},{"Metabolite":"TAG C52:4","quantified m/z":"872.7707","rtimes":"11.61","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:84660","Detailed Annotation":""},{"Metabolite":"TAG C52:5","quantified m/z":"870.755","rtimes":"11.38","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85734","Detailed Annotation":""},{"Metabolite":"TAG C52:6","quantified m/z":"868.7401","rtimes":"11.14","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85875","Detailed Annotation":""},{"Metabolite":"TAG C53:1","quantified m/z":"892.8333","rtimes":"12.53","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C53:2","quantified m/z":"890.8166","rtimes":"12.27","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85739","Detailed Annotation":""},{"Metabolite":"TAG C53:3","quantified m/z":"888.8005","rtimes":"12.04","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85738","Detailed Annotation":""},{"Metabolite":"TAG C53:4","quantified m/z":"886.7869","rtimes":"11.78","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85737","Detailed Annotation":""},{"Metabolite":"TAG C53:5","quantified m/z":"884.7685","rtimes":"11.56","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C54:0","quantified m/z":"908.8649","rtimes":"13.03","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C54:1","quantified m/z":"906.85","rtimes":"12.73","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:90305","Detailed Annotation":""},{"Metabolite":"TAG C54:2","quantified m/z":"904.8337","rtimes":"12.45","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85743","Detailed Annotation":""},{"Metabolite":"TAG C54:3","quantified m/z":"902.8176","rtimes":"12.2","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:84659","Detailed Annotation":""},{"Metabolite":"TAG C54:4","quantified m/z":"900.8021","rtimes":"11.95","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85742","Detailed Annotation":""},{"Metabolite":"TAG C54:5","quantified m/z":"898.7866","rtimes":"11.71","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85741","Detailed Annotation":""},{"Metabolite":"TAG C54:6","quantified m/z":"896.771","rtimes":"11.46","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85876","Detailed Annotation":""},{"Metabolite":"TAG C54:7","quantified m/z":"894.7556","rtimes":"11.24","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85740","Detailed Annotation":""},{"Metabolite":"TAG C54:9","quantified m/z":"890.7257","rtimes":"10.96","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C55:2","quantified m/z":"918.8491","rtimes":"12.65","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132032","Detailed Annotation":""},{"Metabolite":"TAG C55:3","quantified m/z":"916.833","rtimes":"12.37","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132033","Detailed Annotation":""},{"Metabolite":"TAG C55:4","quantified m/z":"914.8179","rtimes":"12.11","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85746","Detailed Annotation":""},{"Metabolite":"TAG C56:2","quantified m/z":"932.8655","rtimes":"12.83","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132034","Detailed Annotation":""},{"Metabolite":"TAG C56:3","quantified m/z":"930.8495","rtimes":"12.55","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85843","Detailed Annotation":""},{"Metabolite":"TAG C56:4","quantified m/z":"928.8333","rtimes":"12.29","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85842","Detailed Annotation":""},{"Metabolite":"TAG C56:5","quantified m/z":"926.8177","rtimes":"12.03","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85751","Detailed Annotation":""},{"Metabolite":"TAG C58:10","quantified m/z":"944.7714","rtimes":"11.35","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:85752","Detailed Annotation":""},{"Metabolite":"TAG C58:2","quantified m/z":"960.8971","rtimes":"13.27","Adduct":"[M+NH4]+","ChEBI ID":"","Detailed Annotation":""},{"Metabolite":"TAG C58:3","quantified m/z":"958.8812","rtimes":"12.96","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132035","Detailed Annotation":""},{"Metabolite":"TAG C58:4","quantified m/z":"956.8643","rtimes":"12.67","Adduct":"[M+NH4]+","ChEBI ID":"CHEBI:132036","Detailed Annotation":""}]
}

}