{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002195","ANALYSIS_ID":"AN003594","VERSION":"1","CREATED_ON":"01-11-2023"},

"PROJECT":{"PROJECT_TITLE":"Untargeted lipidomics studies in the course of dermatitis onset and progression","PROJECT_SUMMARY":"Untargeted lipidomics studies on samples from WT and atopic dermatitis model mice in the course of dermatitis onset and progression.","INSTITUTE":"Graduate School of Pharmaceutical Sciences, Keio University","LAST_NAME":"Iino","FIRST_NAME":"Yudai","ADDRESS":"1-5-30, Shibakoen, Minato-ku, Tokyo, 105-8512, Japan","EMAIL":"iino-iino@keio.jp","PHONE":"81-3-5400-2492","PUBLICATIONS":"https://www.jlr.org/article/S0022-2275(23)00002-0/fulltext","DOI":"http://dx.doi.org/10.21228/M8WB0D"},

"STUDY":{"STUDY_TITLE":"Untargeted lipidomics studies in the course of dermatitis onset and progression","STUDY_SUMMARY":"We applied untargeted lipidomic analysis to the atopic dermatitis-like dermatitis model (Spade mice) to capture the comprehensive lipidome profile in the course of dermatitis onset and progression. Spade mice harbor a single amino acid mutation in Jak1 that causes hyperactivation, leading to Th2 dermatitis. Progressive dermatitis develops as desquamation and redness of the ears at approximately 8 weeks of age. At 10 weeks of age, serum IgE and IgG1 levels are increased, and Th2 cytokines, such as IL-4, IL-5, and IL-13, produced by CD4+ cells are upregulated, followed by elevated serum histamine levels at 12 weeks of age. Skin lesions manifest as epidermal hyperplasia at 8 weeks of age, while there are few morphological changes at 4 weeks of age. TEWL, the readout for barrier function, is significantly elevated in Spade mice at 4 weeks of age, suggesting that barrier defects had occurred before disease onset. WT and Spade skin tissues in P0, 4, 8, and 10 weeks of age were applied to untargeted lipidomics. Over 700 skin lipids including glycerophospholipids, ceramides, neutral lipids, and fatty acids were successfully annotated, and many of them were found to be significantly changed after dermatitis onset as determined by pruritus and erythema. Among them, the levels of Cer[NdS] containing very long-chain (C22 or more) fatty acids were significantly downregulated before AD onset.","INSTITUTE":"Graduate School of Pharmaceutical Sciences, Keio University","LAST_NAME":"Iino","FIRST_NAME":"Yudai","ADDRESS":"1-5-30, Shibakoen, Minato-ku, Tokyo, 105-8512, Japan","EMAIL":"iino-iino@keio.jp","PHONE":"81-3-2400-5492","SUBMIT_DATE":"2022-05-25"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"blank_IS",
"Sample ID":"blank_IS_neg",
"Factors":{"Genotype":"blank","Batch":"blank"},
"Additional sample data":{"Treatment":"blank","ion_mode":"negative","RAW_FILE_NAME":"blank_IS_neg.mzML"}
},
{
"Subject ID":"blank_IS",
"Sample ID":"blank_IS_pos",
"Factors":{"Genotype":"blank","Batch":"blank"},
"Additional sample data":{"Treatment":"blank","ion_mode":"positive","RAW_FILE_NAME":"blank_IS_pos.mzML"}
},
{
"Subject ID":"blank",
"Sample ID":"blank_neg",
"Factors":{"Genotype":"blank_IS","Batch":"blank_IS"},
"Additional sample data":{"Treatment":"blank_IS","ion_mode":"negative","RAW_FILE_NAME":"blank_neg.mzML"}
},
{
"Subject ID":"blank",
"Sample ID":"blank_pos",
"Factors":{"Genotype":"blank_IS","Batch":"blank_IS"},
"Additional sample data":{"Treatment":"blank_IS","ion_mode":"positive","RAW_FILE_NAME":"blank_pos.mzML"}
},
{
"Subject ID":"2_sp_10w",
"Sample ID":"2_sp_10w_neg",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"2_sp_male_10w_neg.mzML"}
},
{
"Subject ID":"2_sp_10w",
"Sample ID":"2_sp_10w_pos",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"2_sp_male_10w_pos.mzML"}
},
{
"Subject ID":"3_sp_10w",
"Sample ID":"3_sp_10w_neg",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"3_sp_male_10w_neg.mzML"}
},
{
"Subject ID":"3_sp_10w",
"Sample ID":"3_sp_10w_pos",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"3_sp_male_10w_pos.mzML"}
},
{
"Subject ID":"4_sp_10w",
"Sample ID":"4_sp_10w_neg",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"4_sp_male_10w_neg.mzML"}
},
{
"Subject ID":"4_sp_10w",
"Sample ID":"4_sp_10w_pos",
"Factors":{"Genotype":"Spade","Batch":"10w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"4_sp_male_10w_pos.mzML"}
},
{
"Subject ID":"11_sp_8w",
"Sample ID":"11_sp_8w_neg",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"11_sp_male_8w_neg.mzML"}
},
{
"Subject ID":"11_sp_8w",
"Sample ID":"11_sp_8w_pos",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"11_sp_male_8w_pos.mzML"}
},
{
"Subject ID":"12_sp_8w",
"Sample ID":"12_sp_8w_neg",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"12_sp_male_8w_neg.mzML"}
},
{
"Subject ID":"12_sp_8w",
"Sample ID":"12_sp_8w_pos",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"12_sp_male_8w_pos.mzML"}
},
{
"Subject ID":"7_sp_8w",
"Sample ID":"7_sp_8w_neg",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"7_sp_male_8w_neg.mzML"}
},
{
"Subject ID":"7_sp_8w",
"Sample ID":"7_sp_8w_pos",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"7_sp_male_8w_pos.mzML"}
},
{
"Subject ID":"8_sp_8w",
"Sample ID":"8_sp_8w_neg",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"8_sp_male_8w_neg.mzML"}
},
{
"Subject ID":"8_sp_8w",
"Sample ID":"8_sp_8w_pos",
"Factors":{"Genotype":"Spade","Batch":"8w_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"8_sp_male_8w_pos.mzML"}
},
{
"Subject ID":"56_sp_P0",
"Sample ID":"56_sp_P0_neg",
"Factors":{"Genotype":"Spade","Batch":"P0_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"56_sp_P0_neg.mzML"}
},
{
"Subject ID":"56_sp_P0",
"Sample ID":"56_sp_P0_pos",
"Factors":{"Genotype":"Spade","Batch":"P0_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"56_sp_P0_pos.mzML"}
},
{
"Subject ID":"62_sp_P0",
"Sample ID":"62_sp_P0_neg",
"Factors":{"Genotype":"Spade","Batch":"P0_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"62_sp_P0_neg.mzML"}
},
{
"Subject ID":"62_sp_P0",
"Sample ID":"62_sp_P0_pos",
"Factors":{"Genotype":"Spade","Batch":"P0_Sp"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"62_sp_P0_pos.mzML"}
},
{
"Subject ID":"101_sp_4w",
"Sample ID":"101_sp_4w_neg",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"101_sp_male_4w_neg.mzML"}
},
{
"Subject ID":"101_sp_4w",
"Sample ID":"101_sp_4w_pos",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"101_sp_male_4w_pos.mzML"}
},
{
"Subject ID":"108_sp_4w",
"Sample ID":"108_sp_4w_neg",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"108_sp_male_4w_neg.mzML"}
},
{
"Subject ID":"108_sp_4w",
"Sample ID":"108_sp_4w_pos",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"108_sp_male_4w_pos.mzML"}
},
{
"Subject ID":"109_sp_4w",
"Sample ID":"109_sp_4w_neg",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"109_sp_male_4w_neg.mzML"}
},
{
"Subject ID":"109_sp_4w",
"Sample ID":"109_sp_4w_pos",
"Factors":{"Genotype":"Spade","Batch":"Sp_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"109_sp_male_4w_pos.mzML"}
},
{
"Subject ID":"13_WT_10w",
"Sample ID":"13_WT_10w_neg",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"13_WT_male_10w_neg.mzML"}
},
{
"Subject ID":"13_WT_10w",
"Sample ID":"13_WT_10w_pos",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"13_WT_male_10w_pos.mzML"}
},
{
"Subject ID":"14_WT_10w",
"Sample ID":"14_WT_10w_neg",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"14_WT_male_10w_neg.mzML"}
},
{
"Subject ID":"14_WT_10w",
"Sample ID":"14_WT_10w_pos",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"14_WT_male_10w_pos.mzML"}
},
{
"Subject ID":"19_WT_10w",
"Sample ID":"19_WT_10w_neg",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"19_WT_male_10w_neg.mzML"}
},
{
"Subject ID":"19_WT_10w",
"Sample ID":"19_WT_10w_pos",
"Factors":{"Genotype":"WT","Batch":"10w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"19_WT_male_10w_pos.mzML"}
},
{
"Subject ID":"34_WT_8w",
"Sample ID":"34_WT_8w_neg",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"34_WT_male_8w_neg.mzML"}
},
{
"Subject ID":"34_WT_8w",
"Sample ID":"34_WT_8w_pos",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"34_WT_male_8w_pos.mzML"}
},
{
"Subject ID":"38_WT_8w",
"Sample ID":"38_WT_8w_neg",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"38_WT_male_8w_neg.mzML"}
},
{
"Subject ID":"38_WT_8w",
"Sample ID":"38_WT_8w_pos",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"38_WT_male_8w_pos.mzML"}
},
{
"Subject ID":"39_WT_8w",
"Sample ID":"39_WT_8w_neg",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"39_WT_male_8w_neg.mzML"}
},
{
"Subject ID":"39_WT_8w",
"Sample ID":"39_WT_8w_pos",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"39_WT_male_8w_pos.mzML"}
},
{
"Subject ID":"40_WT_8w",
"Sample ID":"40_WT_8w_neg",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"40_WT_male_8w_neg.mzML"}
},
{
"Subject ID":"40_WT_8w",
"Sample ID":"40_WT_8w_pos",
"Factors":{"Genotype":"WT","Batch":"8w_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"40_WT_male_8w_pos.mzML"}
},
{
"Subject ID":"49_WT_P0",
"Sample ID":"49_WT_P0_neg",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"49_WT_P0_neg.mzML"}
},
{
"Subject ID":"49_WT_P0",
"Sample ID":"49_WT_P0_pos",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"49_WT_P0_pos.mzML"}
},
{
"Subject ID":"50_WT_P0",
"Sample ID":"50_WT_P0_neg",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"50_WT_P0_neg.mzML"}
},
{
"Subject ID":"50_WT_P0",
"Sample ID":"50_WT_P0_pos",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"50_WT_P0_pos.mzML"}
},
{
"Subject ID":"53_WT_P0",
"Sample ID":"53_WT_P0_neg",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"53_WT_P0_neg.mzML"}
},
{
"Subject ID":"53_WT_P0",
"Sample ID":"53_WT_P0_pos",
"Factors":{"Genotype":"WT","Batch":"P0_WT"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"53_WT_P0_pos.mzML"}
},
{
"Subject ID":"74_WT_4w",
"Sample ID":"74_WT_4w_neg",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"74_WT_male_4w_neg.mzML"}
},
{
"Subject ID":"74_WT_4w",
"Sample ID":"74_WT_4w_pos",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"74_WT_male_4w_pos.mzML"}
},
{
"Subject ID":"78_WT_4w",
"Sample ID":"78_WT_4w_neg",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"78_WT_male_4w_neg.mzML"}
},
{
"Subject ID":"78_WT_4w",
"Sample ID":"78_WT_4w_pos",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"78_WT_male_4w_pos.mzML"}
},
{
"Subject ID":"89_WT_4w",
"Sample ID":"89_WT_4w_neg",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"negative","RAW_FILE_NAME":"89_WT_male_4w_neg.mzML"}
},
{
"Subject ID":"89_WT_4w",
"Sample ID":"89_WT_4w_pos",
"Factors":{"Genotype":"WT","Batch":"WT_4w"},
"Additional sample data":{"Treatment":"ear","ion_mode":"positive","RAW_FILE_NAME":"89_WT_male_4w_pos.mzML"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"Mice were euthanized. Then, ears were collected and stored at -80˚C after rapid freezing in liquid nitrogen.","SAMPLE_TYPE":"skin"},

"TREATMENT":{"TREATMENT_SUMMARY":"Mice were bred and maintained in the Keio specific pathogen-free facility, with a 12 h light/12 h dark cycle and food (CLEA Rodent Diet CE-2, CLEA Japan, Tokyo, Japan) and water available ad libitum."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Frozen ear was pulverized by a metal cone using MULTI-BEADS SHOCKER MB1200 (YASUI KIKAI, Osaka, Japan), and dissolved in 1 ml methanol. The resulting solvents were transferred to a 2 ml glass tube, and 500 µl CHCl3 in internal standard (1 µM d9-EOS d18:1/32:0/18:2 (Cayman, Ann Arbor, MI, USA)) was added followed by incubation at -30˚C for 16 h. After centrifugation (2,000 g, 4˚C, 10 min), A total of 200 µl supernatants were dissolved in 100 µl methanol, and 20 μl MilliQ was added. After 15 min of incubation at room temperature, the tubes were centrifuged (2,000 g, 20˚C, 10 min). The supernatants were subjected to untargeted LC-MS/MS analysis."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"LC gradient consisted of holding solvent (A/B: 100/0) for 1 min, then linearly converting to solvent (A/B: 60/40) for 4 min, linearly converting to solvent (A/B:36/64) for 2.5 min and holding for 4.5 min, then linearly converting to solvent (A/B: 17.5/82.5) for 0.5 min, linearly converting to solvent (A/B: 15/85) for 8.5 min, and linearly converting to solvent (A/B: 5/95) for 1 min followed by returning to solvent (A/B: 100/0) and holding for 5 min for re-equilibration.","INSTRUMENT_NAME":"Waters Acquity UPLC","COLUMN_NAME":"Waters Acquity BEH C18 (50 x 2.1mm,1.7um)","COLUMN_TEMPERATURE":"45","FLOW_GRADIENT":"LC gradient consisted of holding solvent (A/B: 100/0) for 1 min, then linearly converting to solvent (A/B: 60/40) for 4 min, linearly converting to solvent (A/B:36/64) for 2.5 min and holding for 4.5 min, then linearly converting to solvent (A/B: 17.5/82.5) for 0.5 min, linearly converting to solvent (A/B: 15/85) for 8.5 min, and linearly converting to solvent (A/B: 5/95) for 1 min followed by returning to solvent (A/B: 100/0) and holding for 5 min for re-equilibration.","FLOW_RATE":"0.30mL/min","SOLVENT_A":"20% methanol/20% acetonitrile/60% water; 5 mM ammonium acetate; 10 nM EDTA","SOLVENT_B":"100% isopropanol; 5 mM ammonium acetate; 10 nM EDTA","CHROMATOGRAPHY_TYPE":"Reversed phase"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"ABI Sciex 6600 TripleTOF","INSTRUMENT_TYPE":"Triple TOF","MS_TYPE":"ESI","MS_COMMENTS":"MS-DIAL was used for peak picking and alignment","ION_MODE":"POSITIVE"},

"MS_METABOLITE_DATA":{
"Units":"CPM/mg",

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}

}