{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001128","ANALYSIS_ID":"AN001853","VERSION":"1","CREATED_ON":"February 4, 2019, 12:36 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":"WT and ΔSPT cultures of B. thetaiotaomicron grown in Minimal Media with or without d4-alanine (part IV)","STUDY_SUMMARY":"Lipid profiling was applied on WT and ΔSPT cultures of B. thetaiotaomicron grown in minimal liquid media supplemented with or without deuterium (D4)-labelled alanine, in order to elucidate the production pathways of Bacteroides-derived sphingolipids.","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":"9"},

"SUBJECT":{"SUBJECT_TYPE":"Bacteria","SUBJECT_SPECIES":"Bacteroides thetaiotaomicron VPI-5482","TAXONOMY_ID":"226186","GENOTYPE_STRAIN":"WT (VPI-5482), SPT K.O. (BT_0870)","CELL_BIOSOURCE_OR_SUPPLIER":"ATCC","CELL_STRAIN_DETAILS":"Wild type Bacteroides tethaiotamicron strains and serine palmitoyltransferase (SPT) knockouts","SUBJECT_COMMENTS":"Grown in Minimal Media with or without d4-alanine"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"MM1",
"Factors":{"Strain":"WT (VPI-5482)"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"MM1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"MM2",
"Factors":{"Strain":"WT (VPI-5482)"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"MM2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"MM3",
"Factors":{"Strain":"WT (VPI-5482)"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"MM3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SPT1",
"Factors":{"Strain":"SPT K.O. (BT_0870)  + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"SPT1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SPT2",
"Factors":{"Strain":"SPT K.O. (BT_0870)  + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"SPT2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"SPT3",
"Factors":{"Strain":"SPT K.O. (BT_0870)  + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"SPT3.raw"}
},
{
"Subject ID":"-",
"Sample ID":"WT1",
"Factors":{"Strain":"WT (VPI-5482) + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"WT1.raw"}
},
{
"Subject ID":"-",
"Sample ID":"WT2",
"Factors":{"Strain":"WT (VPI-5482) + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"WT2.raw"}
},
{
"Subject ID":"-",
"Sample ID":"WT3",
"Factors":{"Strain":"WT (VPI-5482) + d4-Ala"},
"Additional sample data":{"Type":"Bacterial Cell extract","Species":"Bacteroides thetaiotaomicron","Raw File":"WT3.raw"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"After 48 hrs of labeling, resulting cultures were pelleted by centrifugation at 8000 rpm for 10 min and cell density was normalized. Lipids were extracted using isopropanol and stored at -80C for lipidomic analysis.","SAMPLE_TYPE":"Bacterial cells","STORAGE_CONDITIONS":"-80℃"},

"TREATMENT":{"TREATMENT_SUMMARY":"WT and ΔSPT cultures of B. thetaiotaomicron and B. ovatus were grown in 5 mL of minimal media (M9 salts (Teknova), 1% vitamin K1-hemin solution (Becton Dickinson), 1% trace mineral supplement (ATCC), 1% trace vitamin supplement (ATCC), 2% lactose), supplemented with 10μM of deuterium (D4)-labelled alanine (Sigma), or 10μM of -alanine (Sigma).","CELL_STORAGE":"-80C","CELL_GROWTH_CONTAINER":"anaerobic chamber (Coy Laboratory Products) with an atmosphere of 20% CO2, 5% H2, and 75% N2 at 37°C."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"After 48 hrs, resulting cultures were pelleted by centrifugation at 8000 rpm for 10 min and cell density was normalized. Lipids were extracted using isopropanol and stored at -80C until ready for lipidomic analysis."},

"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_METABOLITE_DATA":{
"Units":"Abundances",

"Data":[{"Metabolite":"CerPE C34","MM1":"1038278","MM2":"1002943","MM3":"749549","SPT1":"","SPT2":"","SPT3":"","WT1":"258161","WT2":"76059","WT3":"119483"},{"Metabolite":"CerPE C33","MM1":"202751","MM2":"191542","MM3":"131209","SPT1":"","SPT2":"","SPT3":"","WT1":"44974","WT2":"5186","WT3":"16163"},{"Metabolite":"CerPE C35","MM1":"986278","MM2":"950804","MM3":"753309","SPT1":"","SPT2":"","SPT3":"","WT1":"393671","WT2":"153066","WT3":"166218"},{"Metabolite":"CerPI C34","MM1":"155828","MM2":"242094","MM3":"82796","SPT1":"","SPT2":"","SPT3":"","WT1":"62920","WT2":"9113","WT3":"16304"},{"Metabolite":"CerPI C35","MM1":"152707","MM2":"277226","MM3":"89122","SPT1":"","SPT2":"","SPT3":"","WT1":"126068","WT2":"30216","WT3":"28048"},{"Metabolite":"1-deoxysphinganine iso-C16","MM1":"74549","MM2":"68849","MM3":"57409","SPT1":"","SPT2":"","SPT3":"","WT1":"61203","WT2":"31488","WT3":"38737"},{"Metabolite":"1-deoxysphinganine iso-C16-d3","MM1":"","MM2":"","MM3":"","SPT1":"","SPT2":"","SPT3":"","WT1":"113648","WT2":"72454","WT3":"83261"},{"Metabolite":"1-deoxysphinganine iso-C17","MM1":"195468","MM2":"185885","MM3":"160449","SPT1":"5360","SPT2":"5774","SPT3":"4628","WT1":"204534","WT2":"142175","WT3":"149646"},{"Metabolite":"1-deoxysphinganine iso-C17-d3","MM1":"","MM2":"","MM3":"","SPT1":"","SPT2":"","SPT3":"","WT1":"506034","WT2":"440537","WT3":"452343"},{"Metabolite":"1-deoxysphinganine iso-C18","MM1":"245213","MM2":"223439","MM3":"211644","SPT1":"","SPT2":"","SPT3":"","WT1":"342064","WT2":"252364","WT3":"210840"},{"Metabolite":"1-deoxysphinganine iso-C18-d3","MM1":"","MM2":"","MM3":"","SPT1":"","SPT2":"","SPT3":"","WT1":"982181","WT2":"874945","WT3":"695978"},{"Metabolite":"sphinganine iso-C15","MM1":"10125","MM2":"9093","MM3":"8259","SPT1":"9053","SPT2":"9206","SPT3":"9250","WT1":"9677","WT2":"9576","WT3":"8857"},{"Metabolite":"sphinganine iso-C16","MM1":"51015","MM2":"44389","MM3":"37245","SPT1":"3692","SPT2":"4226","SPT3":"3690","WT1":"9044","WT2":"8148","WT3":"9645"},{"Metabolite":"sphinganine iso-C17","MM1":"34898","MM2":"33421","MM3":"26738","SPT1":"","SPT2":"","SPT3":"","WT1":"2408","WT2":"2156","WT3":"2576"},{"Metabolite":"sphinganine iso-C18","MM1":"38897","MM2":"37930","MM3":"32624","SPT1":"","SPT2":"","SPT3":"","WT1":"6037","WT2":"5379","WT3":"4087"},{"Metabolite":"sphinganine iso-C19","MM1":"10784","MM2":"8687","MM3":"7634","SPT1":"","SPT2":"","SPT3":"","WT1":"459","WT2":"","WT3":"124"},{"Metabolite":"deoxy dihydroceramide C34","MM1":"43594","MM2":"34708","MM3":"34008","SPT1":"","SPT2":"","SPT3":"","WT1":"55752","WT2":"27705","WT3":"34448"},{"Metabolite":"deoxy dihydroceramide C34-d3","MM1":"","MM2":"","MM3":"","SPT1":"","SPT2":"","SPT3":"","WT1":"108959","WT2":"74802","WT3":"82103"},{"Metabolite":"deoxy dihydroceramide C35","MM1":"208793","MM2":"183263","MM3":"185684","SPT1":"","SPT2":"","SPT3":"","WT1":"341591","WT2":"263394","WT3":"223418"},{"Metabolite":"deoxy dihydroceramide C35-d3","MM1":"","MM2":"","MM3":"","SPT1":"","SPT2":"","SPT3":"","WT1":"895211","WT2":"825891","WT3":"683285"},{"Metabolite":"DHCer C33","MM1":"25172","MM2":"27279","MM3":"22693","SPT1":"","SPT2":"","SPT3":"","WT1":"12096","WT2":"1096","WT3":"6134"},{"Metabolite":"DHCer C34","MM1":"209733","MM2":"197268","MM3":"186674","SPT1":"","SPT2":"","SPT3":"","WT1":"78464","WT2":"31726","WT3":"47909"},{"Metabolite":"DHCer C35","MM1":"152736","MM2":"115770","MM3":"113522","SPT1":"","SPT2":"","SPT3":"","WT1":"48604","WT2":"44003","WT3":"51888"},{"Metabolite":"DHCer C36","MM1":"707653","MM2":"510888","MM3":"561176","SPT1":"","SPT2":"","SPT3":"","WT1":"222488","WT2":"243523","WT3":"235880"},{"Metabolite":"DHCer C37","MM1":"650022","MM2":"470711","MM3":"549536","SPT1":"","SPT2":"","SPT3":"","WT1":"261887","WT2":"346872","WT3":"241351"},{"Metabolite":"3-ketosphinganine iso-C16","MM1":"4259","MM2":"5176","MM3":"4877","SPT1":"4457","SPT2":"3117","SPT3":"4850","WT1":"3384","WT2":"5549","WT3":"4345"},{"Metabolite":"3-ketosphinganine iso-C18","MM1":"7237","MM2":"5001","MM3":"3993","SPT1":"","SPT2":"","SPT3":"","WT1":"124","WT2":"1375","WT3":"2045"},{"Metabolite":"Ceramide (d18:1) C17:1","MM1":"82768","MM2":"58241","MM3":"58861","SPT1":"","SPT2":"","SPT3":"","WT1":"31313","WT2":"25499","WT3":"28122"},{"Metabolite":"Ceramide (d18:1) C18:1","MM1":"302540","MM2":"249668","MM3":"276951","SPT1":"","SPT2":"","SPT3":"","WT1":"167655","WT2":"203212","WT3":"200904"},{"Metabolite":"Ceramide (d18:1) C19:1","MM1":"266683","MM2":"221309","MM3":"279693","SPT1":"","SPT2":"","SPT3":"","WT1":"281469","WT2":"333235","WT3":"256434"},{"Metabolite":"CerPE C19","MM1":"613480","MM2":"583445","MM3":"498810","SPT1":"","SPT2":"","SPT3":"","WT1":"332160","WT2":"142650","WT3":"136008"},{"Metabolite":"CerPI C19","MM1":"104158","MM2":"170413","MM3":"61350","SPT1":"","SPT2":"","SPT3":"","WT1":"121397","WT2":"38787","WT3":"22056"},{"Metabolite":"DAG C30:0","MM1":"5980592","MM2":"5648083","MM3":"5473129","SPT1":"3868244","SPT2":"3236239","SPT3":"2520897","WT1":"1863974","WT2":"2168720","WT3":"2578014"},{"Metabolite":"DAG C30:2","MM1":"192163","MM2":"177766","MM3":"166905","SPT1":"40733","SPT2":"30174","SPT3":"23906","WT1":"36252","WT2":"49304","WT3":"53127"},{"Metabolite":"DAG C31:0","MM1":"2679115","MM2":"2664879","MM3":"2750763","SPT1":"2654400","SPT2":"2240359","SPT3":"1876510","WT1":"1082930","WT2":"1614468","WT3":"1904991"},{"Metabolite":"DAG C31:2","MM1":"722695","MM2":"647345","MM3":"670286","SPT1":"385352","SPT2":"292068","SPT3":"295838","WT1":"336295","WT2":"479935","WT3":"398775"},{"Metabolite":"DAG C32:0","MM1":"618969","MM2":"581102","MM3":"594768","SPT1":"1490276","SPT2":"1058985","SPT3":"894764","WT1":"363534","WT2":"437763","WT3":"436412"},{"Metabolite":"DAG C32:2","MM1":"14347","MM2":"15495","MM3":"14211","SPT1":"15582","SPT2":"10850","SPT3":"10309","WT1":"4924","WT2":"9154","WT3":"6904"},{"Metabolite":"DAG C33:0","MM1":"162334","MM2":"149559","MM3":"160414","SPT1":"129209","SPT2":"113344","SPT3":"108536","WT1":"85803","WT2":"97959","WT3":"126667"},{"Metabolite":"DAG C33:2","MM1":"6191","MM2":"5590","MM3":"5899","SPT1":"30509","SPT2":"22316","SPT3":"22341","WT1":"3660","WT2":"8157","WT3":"2000"},{"Metabolite":"DAG C34:0","MM1":"48690","MM2":"49671","MM3":"45520","SPT1":"47060","SPT2":"44670","SPT3":"50165","WT1":"39938","WT2":"42703","WT3":"41415"},{"Metabolite":"DAG C36:0","MM1":"38416","MM2":"26180","MM3":"23972","SPT1":"25160","SPT2":"28194","SPT3":"23540","WT1":"22422","WT2":"27062","WT3":"26202"},{"Metabolite":"LPC C17:0","MM1":"1309342","MM2":"1212985","MM3":"1193020","SPT1":"1192585","SPT2":"1250260","SPT3":"1188617","WT1":"1199894","WT2":"1218486","WT3":"1222523"},{"Metabolite":"LPE C15:0","MM1":"2103","MM2":"5811","MM3":"2877","SPT1":"1291","SPT2":"1182","SPT3":"686","WT1":"40966","WT2":"947","WT3":"5614"},{"Metabolite":"LPE C15:0 isomer","MM1":"7607","MM2":"13928","MM3":"7773","SPT1":"2440","SPT2":"7718","SPT3":"1675","WT1":"139030","WT2":"7083","WT3":"28858"},{"Metabolite":"LPE C16:0","MM1":"","MM2":"1744","MM3":"2552","SPT1":"432","SPT2":"527","SPT3":"193","WT1":"29997","WT2":"2276","WT3":"4895"},{"Metabolite":"MAG C14:0","MM1":"24493","MM2":"23726","MM3":"22877","SPT1":"24002","SPT2":"23796","SPT3":"24477","WT1":"22907","WT2":"22662","WT3":"21553"},{"Metabolite":"MAG C15:0","MM1":"13958","MM2":"14593","MM3":"14179","SPT1":"13423","SPT2":"16585","SPT3":"14269","WT1":"36702","WT2":"13422","WT3":"18961"},{"Metabolite":"MAG C16:0","MM1":"369624","MM2":"353628","MM3":"349489","SPT1":"339029","SPT2":"351601","SPT3":"342707","WT1":"360649","WT2":"347196","WT3":"356858"},{"Metabolite":"MAG C17:0","MM1":"9164","MM2":"9824","MM3":"8175","SPT1":"9793","SPT2":"11257","SPT3":"9557","WT1":"10852","WT2":"5307","WT3":"8765"},{"Metabolite":"MAG C18:0","MM1":"752920","MM2":"734890","MM3":"700558","SPT1":"687628","SPT2":"657528","SPT3":"667323","WT1":"626574","WT2":"626140","WT3":"619666"},{"Metabolite":"MAG C22:0","MM1":"22125","MM2":"24715","MM3":"23018","SPT1":"22050","SPT2":"21868","SPT3":"21564","WT1":"22623","WT2":"22314","WT3":"22525"},{"Metabolite":"MAG C22:1","MM1":"15482","MM2":"15573","MM3":"15985","SPT1":"15501","SPT2":"13782","SPT3":"14050","WT1":"12998","WT2":"14947","WT3":"12158"},{"Metabolite":"oleamide","MM1":"52404","MM2":"51081","MM3":"45547","SPT1":"45701","SPT2":"43630","SPT3":"48347","WT1":"44204","WT2":"41967","WT3":"41696"},{"Metabolite":"PC C24:0","MM1":"2280575","MM2":"2444730","MM3":"2326815","SPT1":"2337128","SPT2":"2486297","SPT3":"2332759","WT1":"2256909","WT2":"2278721","WT3":"2264791"},{"Metabolite":"PE C29:0","MM1":"1934137","MM2":"1930753","MM3":"1635986","SPT1":"1420325","SPT2":"977714","SPT3":"802254","WT1":"628598","WT2":"550942","WT3":"759985"},{"Metabolite":"PE C30:0","MM1":"18966976","MM2":"16259055","MM3":"15855681","SPT1":"7607787","SPT2":"5701688","SPT3":"4900407","WT1":"7202933","WT2":"5569046","WT3":"6259415"},{"Metabolite":"PE C31:0","MM1":"7898877","MM2":"7277688","MM3":"7027301","SPT1":"4704389","SPT2":"3545128","SPT3":"3428196","WT1":"3619282","WT2":"3675490","WT3":"3908805"},{"Metabolite":"PE C32:0","MM1":"1301038","MM2":"1151554","MM3":"1240642","SPT1":"2447568","SPT2":"1604707","SPT3":"1456696","WT1":"586215","WT2":"581139","WT3":"530052"},{"Metabolite":"PE 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C46:0","MM1":"320346","MM2":"353148","MM3":"349903","SPT1":"346633","SPT2":"334754","SPT3":"332634","WT1":"319006","WT2":"314519","WT3":"319330"},{"Metabolite":"TAG C46:1","MM1":"52592","MM2":"44880","MM3":"50616","SPT1":"46283","SPT2":"62885","SPT3":"35478","WT1":"33563","WT2":"31515","WT3":"35286"},{"Metabolite":"TAG C47:0","MM1":"320211","MM2":"316814","MM3":"311792","SPT1":"311540","SPT2":"309230","SPT3":"320423","WT1":"299168","WT2":"286176","WT3":"291449"},{"Metabolite":"TAG C47:1","MM1":"34691","MM2":"26467","MM3":"29676","SPT1":"27553","SPT2":"36774","SPT3":"17405","WT1":"17993","WT2":"14732","WT3":"16249"},{"Metabolite":"TAG C48:0","MM1":"396961","MM2":"392056","MM3":"406690","SPT1":"379583","SPT2":"401367","SPT3":"366540","WT1":"344015","WT2":"374753","WT3":"349769"},{"Metabolite":"TAG C48:1","MM1":"70003","MM2":"81565","MM3":"67760","SPT1":"65781","SPT2":"103445","SPT3":"60570","WT1":"59003","WT2":"53172","WT3":"54515"},{"Metabolite":"TAG C48:2","MM1":"37236","MM2":"31675","MM3":"28702","SPT1":"17793","SPT2":"38295","SPT3":"16294","WT1":"11700","WT2":"15972","WT3":"16361"},{"Metabolite":"TAG C49:0","MM1":"162937","MM2":"167671","MM3":"157975","SPT1":"169593","SPT2":"155597","SPT3":"155291","WT1":"165246","WT2":"154487","WT3":"155403"},{"Metabolite":"TAG C49:1","MM1":"20600","MM2":"19099","MM3":"12530","SPT1":"13567","SPT2":"22466","SPT3":"10586","WT1":"7360","WT2":"14861","WT3":"3347"},{"Metabolite":"TAG C50:0","MM1":"168237","MM2":"189844","MM3":"169552","SPT1":"170935","SPT2":"187153","SPT3":"163365","WT1":"160603","WT2":"159092","WT3":"158201"},{"Metabolite":"TAG C50:1","MM1":"77015","MM2":"82701","MM3":"82978","SPT1":"76627","SPT2":"158964","SPT3":"60957","WT1":"68878","WT2":"63016","WT3":"63474"},{"Metabolite":"TAG C50:2","MM1":"32346","MM2":"34508","MM3":"33857","SPT1":"19653","SPT2":"62803","SPT3":"20147","WT1":"20989","WT2":"19719","WT3":"18544"},{"Metabolite":"TAG C52:0","MM1":"67248","MM2":"70165","MM3":"64492","SPT1":"71431","SPT2":"70058","SPT3":"79161","WT1":"74528","WT2":"69244","WT3":"68569"},{"Metabolite":"TAG C52:1","MM1":"13701","MM2":"20503","MM3":"16207","SPT1":"15982","SPT2":"47852","SPT3":"15187","WT1":"16120","WT2":"12372","WT3":"6464"},{"Metabolite":"TAG C52:2","MM1":"55882","MM2":"63423","MM3":"47381","SPT1":"50014","SPT2":"143107","SPT3":"36031","WT1":"43127","WT2":"35257","WT3":"26943"},{"Metabolite":"TAG C52:3","MM1":"15754","MM2":"17160","MM3":"9700","SPT1":"11814","SPT2":"52744","SPT3":"10144","WT1":"3872","WT2":"5346","WT3":"6321"},{"Metabolite":"TAG C54:3","MM1":"21258","MM2":"17369","MM3":"7500","SPT1":"12531","SPT2":"45746","SPT3":"6418","WT1":"11468","WT2":"8409","WT3":"8416"}],

"Metabolites":[{"Metabolite":"CerPE C34","quantified m/z":"679.5379076","rtimes (mins)":"8.45","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPE C33","quantified m/z":"665.5226654","rtimes (mins)":"8.19","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPE C35","quantified m/z":"693.5535544","rtimes (mins)":"8.66","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPI C34","quantified m/z":"798.5487152","rtimes (mins)":"8.09","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPI C35","quantified m/z":"812.5641022","rtimes (mins)":"8.36","Adduct":"[M+H]+","Notes":""},{"Metabolite":"1-deoxysphinganine iso-C16","quantified m/z":"272.2947938","rtimes (mins)":"4.69","Adduct":"[M+H]+","Notes":""},{"Metabolite":"1-deoxysphinganine iso-C16-d3","quantified m/z":"275.313575","rtimes (mins)":"4.69","Adduct":"[M+H]+","Notes":"Labeled"},{"Metabolite":"1-deoxysphinganine iso-C17","quantified m/z":"286.3103625","rtimes (mins)":"4.97","Adduct":"[M+H]+","Notes":""},{"Metabolite":"1-deoxysphinganine iso-C17-d3","quantified m/z":"289.3291023","rtimes (mins)":"4.97","Adduct":"[M+H]+","Notes":"Labeled"},{"Metabolite":"1-deoxysphinganine iso-C18","quantified m/z":"300.3259754","rtimes (mins)":"5.19","Adduct":"[M+H]+","Notes":""},{"Metabolite":"1-deoxysphinganine iso-C18-d3","quantified m/z":"303.344672","rtimes (mins)":"5.19","Adduct":"[M+H]+","Notes":"Labeled"},{"Metabolite":"sphinganine iso-C15","quantified m/z":"274.2740823","rtimes (mins)":"4.03","Adduct":"[M+H]+","Notes":""},{"Metabolite":"sphinganine iso-C16","quantified m/z":"288.2894982","rtimes (mins)":"4.5","Adduct":"[M+H]+","Notes":""},{"Metabolite":"sphinganine iso-C17","quantified m/z":"302.305179","rtimes (mins)":"4.8","Adduct":"[M+H]+","Notes":""},{"Metabolite":"sphinganine iso-C18","quantified m/z":"316.3207703","rtimes (mins)":"5","Adduct":"[M+H]+","Notes":""},{"Metabolite":"sphinganine iso-C19","quantified m/z":"330.3366411","rtimes (mins)":"5.36","Adduct":"[M+H]+","Notes":""},{"Metabolite":"deoxy dihydroceramide C34","quantified m/z":"540.5351856","rtimes (mins)":"8.78","Adduct":"[M+H]+","Notes":""},{"Metabolite":"deoxy dihydroceramide C34-d3","quantified m/z":"543.5536722","rtimes (mins)":"8.77","Adduct":"[M+H]+","Notes":"Labeled"},{"Metabolite":"deoxy dihydroceramide C35","quantified m/z":"554.5505981","rtimes (mins)":"8.98","Adduct":"[M+H]+","Notes":""},{"Metabolite":"deoxy dihydroceramide C35-d3","quantified m/z":"557.5692378","rtimes (mins)":"8.98","Adduct":"[M+H]+","Notes":"Labeled"},{"Metabolite":"DHCer C33","quantified m/z":"542.5146001","rtimes (mins)":"8.33","Adduct":"[M+H]+","Notes":""},{"Metabolite":"DHCer C34","quantified m/z":"556.5300642","rtimes (mins)":"8.53","Adduct":"[M+H]+","Notes":""},{"Metabolite":"DHCer C35","quantified m/z":"570.5455547","rtimes (mins)":"8.55","Adduct":"[M+H]+","Notes":""},{"Metabolite":"DHCer C36","quantified m/z":"584.5609793","rtimes (mins)":"8.75","Adduct":"[M+H]+","Notes":""},{"Metabolite":"DHCer C37","quantified m/z":"598.5765333","rtimes (mins)":"8.98","Adduct":"[M+H]+","Notes":""},{"Metabolite":"3-ketosphinganine iso-C16","quantified m/z":"286.2740364","rtimes (mins)":"4.39","Adduct":"[M+H]+","Notes":""},{"Metabolite":"3-ketosphinganine iso-C18","quantified m/z":"314.3052493","rtimes (mins)":"4.86","Adduct":"[M+H]+","Notes":""},{"Metabolite":"Ceramide (d18:1) C17:1","quantified m/z":"550.5192375","rtimes (mins)":"8.68","Adduct":"[M+H]+","Notes":""},{"Metabolite":"Ceramide (d18:1) C18:1","quantified m/z":"564.5348753","rtimes (mins)":"8.91","Adduct":"[M+H]+","Notes":""},{"Metabolite":"Ceramide (d18:1) C19:1","quantified m/z":"578.5494447","rtimes (mins)":"9.11","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPE C19","quantified m/z":"707.5692413","rtimes (mins)":"8.9","Adduct":"[M+H]+","Notes":""},{"Metabolite":"CerPI C19","quantified m/z":"826.5801017","rtimes (mins)":"8.61","Adduct":"[M+H]+","Notes":""},{"Metabolite":"DAG C30:0","quantified m/z":"558.5092016","rtimes (mins)":"9.28","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C30:2","quantified m/z":"554.477919","rtimes (mins)":"8.71","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C31:0","quantified m/z":"572.5246446","rtimes (mins)":"9.5","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C31:2","quantified m/z":"568.4933508","rtimes (mins)":"8.95","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C32:0","quantified m/z":"586.5403156","rtimes (mins)":"9.67","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C32:2","quantified m/z":"582.5090287","rtimes (mins)":"9.18","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C33:0","quantified m/z":"600.5558703","rtimes (mins)":"9.91","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C33:2","quantified m/z":"596.5244462","rtimes (mins)":"9.41","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C34:0","quantified m/z":"614.5713577","rtimes (mins)":"10.14","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"DAG C36:0","quantified m/z":"642.6026711","rtimes (mins)":"10.49","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"LPC C17:0","quantified m/z":"510.3556769","rtimes (mins)":"5.66","Adduct":"[M+H]+","Notes":""},{"Metabolite":"LPE C15:0","quantified m/z":"440.2774394","rtimes (mins)":"5.05","Adduct":"[M+H]+","Notes":""},{"Metabolite":"LPE C15:0 isomer","quantified m/z":"440.2773419","rtimes (mins)":"4.85","Adduct":"[M+H]+","Notes":""},{"Metabolite":"LPE C16:0","quantified m/z":"454.2920343","rtimes (mins)":"5.37","Adduct":"[M+H]+","Notes":""},{"Metabolite":"MAG C14:0","quantified m/z":"325.2347016","rtimes (mins)":"5.12","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C15:0","quantified m/z":"339.2505671","rtimes (mins)":"5.42","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C16:0","quantified m/z":"353.2660274","rtimes (mins)":"5.76","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C17:0","quantified m/z":"367.2816692","rtimes (mins)":"6.08","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C18:0","quantified m/z":"381.2972484","rtimes (mins)":"6.46","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C22:0","quantified m/z":"437.3602397","rtimes (mins)":"7.67","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"MAG C22:1","quantified m/z":"435.3445505","rtimes (mins)":"7.77","Adduct":"[M+Na]+","Notes":""},{"Metabolite":"oleamide","quantified m/z":"282.2791292","rtimes (mins)":"5.79","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PC C24:0","quantified m/z":"622.4437597","rtimes (mins)":"7.17","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C29:0","quantified m/z":"650.4750648","rtimes (mins)":"8.52","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C30:0","quantified m/z":"664.4905563","rtimes (mins)":"8.75","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C31:0","quantified m/z":"678.5061512","rtimes (mins)":"9","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C32:0","quantified m/z":"692.5218318","rtimes (mins)":"9.18","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C33:0","quantified m/z":"706.5376354","rtimes (mins)":"9.44","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C33:1","quantified m/z":"704.5221825","rtimes (mins)":"9.18","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PE C34:0","quantified m/z":"720.5521837","rtimes (mins)":"9.67","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PS C30:0","quantified m/z":"708.4806832","rtimes (mins)":"8.5","Adduct":"[M+H]+","Notes":""},{"Metabolite":"PS C32:0","quantified m/z":"736.5116707","rtimes (mins)":"8.83","Adduct":"[M+H]+","Notes":""},{"Metabolite":"sphingosine","quantified m/z":"300.2896121","rtimes (mins)":"5.52","Adduct":"[M+H]+","Notes":""},{"Metabolite":"TAG C42:0","quantified m/z":"740.675648","rtimes (mins)":"11.32","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C43:0","quantified m/z":"754.690936","rtimes (mins)":"11.44","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C44:0","quantified m/z":"768.7068125","rtimes (mins)":"11.61","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C44:1","quantified m/z":"766.6911524","rtimes (mins)":"11.42","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C45:0","quantified m/z":"782.7224467","rtimes (mins)":"11.78","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C45:1","quantified m/z":"780.7069064","rtimes (mins)":"11.56","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C46:0","quantified m/z":"796.7381912","rtimes (mins)":"11.95","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C46:1","quantified m/z":"794.7224953","rtimes (mins)":"11.73","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C47:0","quantified m/z":"810.7537666","rtimes (mins)":"12.12","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C47:1","quantified m/z":"808.7383418","rtimes (mins)":"11.91","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C48:0","quantified m/z":"824.7691447","rtimes (mins)":"12.31","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C48:1","quantified m/z":"822.7538005","rtimes (mins)":"12.07","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C48:2","quantified m/z":"820.7382544","rtimes (mins)":"11.87","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C49:0","quantified m/z":"838.7845588","rtimes (mins)":"12.49","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C49:1","quantified m/z":"836.7699856","rtimes (mins)":"12.25","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C50:0","quantified m/z":"852.8004991","rtimes (mins)":"12.69","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C50:1","quantified m/z":"850.7851069","rtimes (mins)":"12.42","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C50:2","quantified m/z":"848.7696644","rtimes (mins)":"12.17","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C52:0","quantified m/z":"880.8317908","rtimes (mins)":"13.12","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C52:1","quantified m/z":"878.8166846","rtimes (mins)":"12.79","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C52:2","quantified m/z":"876.8004369","rtimes (mins)":"12.51","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C52:3","quantified m/z":"874.7850038","rtimes (mins)":"12.23","Adduct":"[M+NH4]+","Notes":""},{"Metabolite":"TAG C54:3","quantified m/z":"902.8164628","rtimes (mins)":"12.61","Adduct":"[M+NH4]+","Notes":""}]
}

}