#METABOLOMICS WORKBENCH Elisa_Zubeldia_20220719_042035 DATATRACK_ID:3355 STUDY_ID:ST002236 ANALYSIS_ID:AN003647 PROJECT_ID:PR001426
VERSION             	1
CREATED_ON             	July 27, 2022, 9:45 am
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics approach to the study of food allergy
PR:PROJECT_SUMMARY               	This project focuses on the metabolomics study of different types of food
PR:PROJECT_SUMMARY               	allergy with various cohorts.
PR:INSTITUTE                     	Institute of Applied Molecular Medicine
PR:DEPARTMENT                    	Basic Medical Sciences. Faculty of Medicine
PR:LAST_NAME                     	Pérez-Gordo
PR:FIRST_NAME                    	Marina
PR:ADDRESS                       	Avda. Monteprincipe s/n 28668 Boadilla del Monte, Madrid, España
PR:EMAIL                         	marina.perezgordo@ceu.es
PR:PHONE                         	Tlf: 91 372 47 00 ext. 14675
#STUDY
ST:STUDY_TITLE                   	The impact of IgE in gut and serum metabolomes in a murine experimental model of
ST:STUDY_TITLE                   	allergic enteritis
ST:STUDY_TYPE                    	Case-control study
ST:STUDY_SUMMARY                 	The pathological mechanism of the gastrointestinal forms of food allergies is
ST:STUDY_SUMMARY                 	less understood in comparison to other clinical phenotypes, such as asthma, and
ST:STUDY_SUMMARY                 	anaphylaxis, partly due to difficulty in the access to intestinal tissues and
ST:STUDY_SUMMARY                 	because of a highly complex interplay between microbiota and intestinal mucosa.
ST:STUDY_SUMMARY                 	Importantly, a high level of IgE is a poor prognostic factor in gastrointestinal
ST:STUDY_SUMMARY                 	allergies. This study aimed to investigate how IgE influences the development of
ST:STUDY_SUMMARY                 	intestinal inflammation and the metabolome in allergic enteritis (AE), using IgE
ST:STUDY_SUMMARY                 	knock-in (IgEki) mice expressing high levels of IgE. Ovalbumin-sensitized and
ST:STUDY_SUMMARY                 	egg-white diet fed (OVA/EW) BALB/c WT mice developed moderate AE, whereas OVA/EW
ST:STUDY_SUMMARY                 	IgEki mice induced more aggravated intestinal inflammation with enhanced
ST:STUDY_SUMMARY                 	eosinophil accumulation.
ST:INSTITUTE                     	Institute of Applied Molecular Medicine
ST:LAST_NAME                     	Zubeldia-Varela
ST:FIRST_NAME                    	Elisa
ST:ADDRESS                       	Avda. Monteprincipe s/n 28668 Boadilla del Monte, Madrid, España
ST:EMAIL                         	elisa.zubeldiavarela@ceu.es
ST:PHONE                         	Tlf: 91 372 47 00 ext. 14675
ST:NUM_GROUPS                    	4 groups: BALB/c wild type (WT) and IgE knock-in mice (C.Ighg1tm1.1Pyu) in the
ST:NUM_GROUPS                    	BALB/c background, both sensitised and non-sensitised to ovalbumin.
ST:TOTAL_SUBJECTS                	29
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 1	IgEki (Only EW) 1F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 1F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 1	IgEki (Only EW) 1S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 1S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 2	IgEki (Only EW) 2F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 2F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 2	IgEki (Only EW) 2S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 2S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 3	IgEki (Only EW) 3F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 3F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 3	IgEki (Only EW) 3S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 3S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 4	IgEki (Only EW) 4F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 4F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 4	IgEki (Only EW) 4S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 4S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 5	IgEki (Only EW) 5F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 5F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 5	IgEki (Only EW) 5S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 5S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 6	IgEki (Only EW) 6F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 6F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 6	IgEki (Only EW) 6S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 6S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 7	IgEki (Only EW) 7F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 7F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (Only EW) 7	IgEki (Only EW) 7S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=IgEki (Only EW) 7S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 1	IgEki (OVA_EW) 1F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 1F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 1	IgEki (OVA_EW) 1S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 1S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 2	IgEki (OVA_EW) 2F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 2F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 2	IgEki (OVA_EW) 2S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 2S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 3	IgEki (OVA_EW) 3F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 3F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 3	IgEki (OVA_EW) 3S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 3S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 4	IgEki (OVA_EW) 4F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 4F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 4	IgEki (OVA_EW) 4S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 4S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 5	IgEki (OVA_EW) 5F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 5F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 5	IgEki (OVA_EW) 5S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 5S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 6	IgEki (OVA_EW) 6F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 6F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 6	IgEki (OVA_EW) 6S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 6S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 7	IgEki (OVA_EW) 7F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 7F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 7	IgEki (OVA_EW) 7S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 7S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 8	IgEki (OVA_EW) 8F	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 8F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	IgEki (OVA_EW) 8	IgEki (OVA_EW) 8S	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=IgEki (OVA_EW) 8S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 1	WT (Only EW) 1F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 1F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 1	WT (Only EW) 1S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 1S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 2	WT (Only EW) 2F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 2F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 2	WT (Only EW) 2S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 2S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 3	WT (Only EW) 3F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 3F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 3	WT (Only EW) 3S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 3S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 4	WT (Only EW) 4F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 4F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 4	WT (Only EW) 4S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 4S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 5	WT (Only EW) 5F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 5F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 5	WT (Only EW) 5S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 5S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 6	WT (Only EW) 6F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 6F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 6	WT (Only EW) 6S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 6S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 7	WT (Only EW) 7F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 7F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (Only EW) 7	WT (Only EW) 7S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	RAW_FILE_NAME=WT (Only EW) 7S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 1	WT (OVA_EW) 1F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 1F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 1	WT (OVA_EW) 1S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 1S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 2	WT (OVA_EW) 2F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 2F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 2	WT (OVA_EW) 2S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 2S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 3	WT (OVA_EW) 3F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 3F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 3	WT (OVA_EW) 3S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 3S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 4	WT (OVA_EW) 4F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 4F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 4	WT (OVA_EW) 4S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 4S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 5	WT (OVA_EW) 5F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 5F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 5	WT (OVA_EW) 5S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 5S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 6	WT (OVA_EW) 6F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 6F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 6	WT (OVA_EW) 6S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 6S CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 7	WT (OVA_EW) 7F	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 7F CE/GC/LC Pos/LC Neg
SUBJECT_SAMPLE_FACTORS           	WT (OVA_EW) 7	WT (OVA_EW) 7S	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	RAW_FILE_NAME=WT (OVA_EW) 7S CE/GC/LC Pos/LC Neg
#COLLECTION
CO:COLLECTION_SUMMARY            	Faecal and serum samples were obtained and stored at -80°C until metabolite
CO:COLLECTION_SUMMARY            	extraction.
CO:SAMPLE_TYPE                   	Feces; Blood (serum)
CO:STORAGE_CONDITIONS            	-80?
#TREATMENT
TR:TREATMENT_SUMMARY             	Mice  (female, 6 to 8 weeks old) were sensitized by an intraperitoneal
TR:TREATMENT_SUMMARY             	injection with 10 µg of ovalbumin (OVA, Sigma-Aldrich) and 1 mg of Alum
TR:TREATMENT_SUMMARY             	(ThermoFisher Scientific) in 500 µl of PBS or treated only with PBS twice as
TR:TREATMENT_SUMMARY             	non-sensitized controls, at a two-week interval.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	"FAECES. Frozen faeces samples were lyophilized overnight at -80°C. Faecal
SP:SAMPLEPREP_SUMMARY            	pellets were doubly extracted (i) first with MeOH:MTBE (4:1, v/v) and (ii) with
SP:SAMPLEPREP_SUMMARY            	MeOH:H2O (4:1, v/v). Equal volumes (300 µL) of the supernatants from (i) and
SP:SAMPLEPREP_SUMMARY            	(ii) were then mixed and aliquoted for subsequent analysis. SERUM. Serum samples
SP:SAMPLEPREP_SUMMARY            	(100 µL) were deproteinized by an addition of 300 µL of cold acetonitrile (1:3
SP:SAMPLEPREP_SUMMARY            	v/v) and homogenized for 15 min in a vortex. After a 10 min ice bath, samples
SP:SAMPLEPREP_SUMMARY            	were centrifuged (16000 x g, 4°C, 20 min) and stored at -20°C until the start
SP:SAMPLEPREP_SUMMARY            	of sample treatment. The resulting supernatants were filtered through 0.22 µm
SP:SAMPLEPREP_SUMMARY            	for LC-MS, 80 µL were transferred into an analytical vial for their analysis.
SP:SAMPLEPREP_SUMMARY            	For CE-MS, 80 µL of the supernatants were evaporated to dryness using a
SP:SAMPLEPREP_SUMMARY            	Speedvac Concentrator and reconstituted in 80 µL of MilliQ® water containing
SP:SAMPLEPREP_SUMMARY            	an internal standard (0.2 mM L-methionine sulfone) and 0.1 M FA. Finally, for
SP:SAMPLEPREP_SUMMARY            	GC-MS, 120 µL of the corresponding aliquots were evaporated to dryness using a
SP:SAMPLEPREP_SUMMARY            	Speedvac Concentrator, followed by the addition of 10 µL of O-methoxyamine
SP:SAMPLEPREP_SUMMARY            	hydrochloride (15 mg/mL) in pyridine for methoximation. After gently vortexing,
SP:SAMPLEPREP_SUMMARY            	the vials were incubated in darkness at room temperature for 16 h. Then, 10 µL
SP:SAMPLEPREP_SUMMARY            	of BSTFA with 1 % TMCS (v/v) were added and samples were vortexed for 5 min,
SP:SAMPLEPREP_SUMMARY            	silylation was carried out for 1 h at 70 °C and finally 120 µL of C18:0 methyl
SP:SAMPLEPREP_SUMMARY            	ester (10 mg/L in heptane) were added as an internal standard and samples were
SP:SAMPLEPREP_SUMMARY            	mixed again by gentle vortexing. Eight blank samples were prepared for GC-MS by
SP:SAMPLEPREP_SUMMARY            	the same procedure of extraction and derivatization. "
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Protocolsamples.docx
SP:PROCESSING_METHOD             	Lyophilization, homogenization, protein precipitation and metabolite extraction
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For LC-MS, 0.5 µL of sample were injected into a Zorbax Extend C18 (50 x 2.1
CH:CHROMATOGRAPHY_SUMMARY        	mm, 1.8 µm) maintained at 60 °C. The flow rate was set at 0.6 mL/min. . The
CH:CHROMATOGRAPHY_SUMMARY        	flow rate was set at 0.6 mL/min. The elution gradient involved a mobile phase
CH:CHROMATOGRAPHY_SUMMARY        	consisting of: (A) 0.1% formic acid (FA) in water and (B) 0.1% FA in
CH:CHROMATOGRAPHY_SUMMARY        	acetonitrile (ACN). The gradient was 5% B (0–1 min), 5 to 80% B (1–7 min),
CH:CHROMATOGRAPHY_SUMMARY        	80 to 100% B (7–11.5 min), and 100 to 5% B (11.5–12 min). The system was
CH:CHROMATOGRAPHY_SUMMARY        	finally held at 5% B for 3 min to re-equilibrate the system (15 min of total
CH:CHROMATOGRAPHY_SUMMARY        	analysis time). The ESI data were acquired in both modes, ESI (+) and ESI (-),
CH:CHROMATOGRAPHY_SUMMARY        	in separate runs. The capillary voltage was set at 3,000V for ESI (+) and 4,000V
CH:CHROMATOGRAPHY_SUMMARY        	for ESI (-). The drying gas flow rate was 12 L/min at 250 °C and gas nebulizer
CH:CHROMATOGRAPHY_SUMMARY        	at 52 psi; nozzle voltage was 1000V; fragmentor voltage was 175 V; skimmer and
CH:CHROMATOGRAPHY_SUMMARY        	octopole radio frequency voltage (OCT RF Vpp) were set to 65 and 750 V,
CH:CHROMATOGRAPHY_SUMMARY        	respectively. Data were collected in the centroid mode at a scan rate of 1.5
CH:CHROMATOGRAPHY_SUMMARY        	spectra per second.
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Agilent 1290
CH:COLUMN_NAME                   	Zorbax Extend C18 (50 x 2.1 mm, 1.8 µm)
CH:METHODS_FILENAME              	Protocolmethods.docx
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:DATA_FORMAT                   	.d
#MS
MS:INSTRUMENT_NAME               	Agilent 6545 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	LC-MS analysis was performed on an Agilent HPLC system (1290 infinity II
MS:MS_COMMENTS                   	series, Agilent Technologies, Waldbronn, Germany), equipped with a degasser, two
MS:MS_COMMENTS                   	binary pumps, and a thermostated autosampler coupled with quadrupole-time of
MS:MS_COMMENTS                   	flight analyzer (Q-TOF), LC-MS (6545) system (Agilent Technologies, Waldbronn,
MS:MS_COMMENTS                   	Germany)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Peak Area
MS_METABOLITE_DATA_START
Samples	IgEki (Only EW) 1F	IgEki (Only EW) 2F	IgEki (Only EW) 3F	IgEki (Only EW) 4F	IgEki (Only EW) 5F	IgEki (Only EW) 6F	IgEki (Only EW) 7F	IgEki (OVA_EW) 1F	IgEki (OVA_EW) 2F	IgEki (OVA_EW) 3F	IgEki (OVA_EW) 4F	IgEki (OVA_EW) 5F	IgEki (OVA_EW) 6F	IgEki (OVA_EW) 7F	IgEki (OVA_EW) 8F	WT (Only EW) 1F	WT (Only EW) 2F	WT (Only EW) 3F	WT (Only EW) 4F	WT (Only EW) 5F	WT (Only EW) 6F	WT (Only EW) 7F	WT (OVA_EW) 1F	WT (OVA_EW) 2F	WT (OVA_EW) 3F	WT (OVA_EW) 4F	WT (OVA_EW) 5F	WT (OVA_EW) 6F	WT (OVA_EW) 7F	IgEki (Only EW) 1S	IgEki (Only EW) 2S	IgEki (Only EW) 3S	IgEki (Only EW) 4S	IgEki (Only EW) 5S	IgEki (Only EW) 6S	IgEki (Only EW) 7S	IgEki (OVA_EW) 1S	IgEki (OVA_EW) 2S	IgEki (OVA_EW) 3S	IgEki (OVA_EW) 4S	IgEki (OVA_EW) 5S	IgEki (OVA_EW) 6S	IgEki (OVA_EW) 7S	IgEki (OVA_EW) 8S	WT (Only EW) 1S	WT (Only EW) 2S	WT (Only EW) 3S	WT (Only EW) 4S	WT (Only EW) 5S	WT (Only EW) 6S	WT (Only EW) 7S	WT (OVA_EW) 1S	WT (OVA_EW) 2S	WT (OVA_EW) 3S	WT (OVA_EW) 4S	WT (OVA_EW) 5S	WT (OVA_EW) 6S	WT (OVA_EW) 7S
Factors	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:IgE knock-in mice | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Non-sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin	Genotype:BALB/c wild type | Ovalbumin sensitisation:Sensitised to ovalbumin
Eicosadienoic Acid	291690	154468	101912	64774	192829	318238	90485	372743	260559	269639	463769	229372	609001	359026	974058	2216	3454	0	0	0	0	2293	0	0	0	0	0	0	2565	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-glutamic acid	1271642	1155014	1082612	1309460	1265670	890230	1078045	702037	1925609	991312	1131115	1909428	1007721	1264412	1843557	1949305	2106155	1160160	2438834	2161532	1745648	2153267	1927211	1848135	1954964	2086965	2510604	2101294	2253919	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
?-Aminobutryic acid	0	0	0	0	0	0	0	0	392717	198968	0	329265	0	0	376231	359190	375453	0	437447	431096	396900	368712	392015	392271	417705	447300	539630	413666	462383	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Glutamine	0	0	0	0	0	207867	0	214308	336536	242737	275767	0	0	330629	361369	446556	432793	0	566722	427657	436006	446138	555903	520250	408584	459871	537571	452611	529232	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
LPC(14:0)	38000	31703	36316	23520	29488	31186	15396	3118	25941	4907	67454	26792	47012	36484	16375	1447	1751	7634	1759	12187	6510	2376	0	26598	0	0	0	0	5121	171536	233997	321270	148014	202548	179249	278841	72450	143565	276045	86245	131869	79013	72800	57853	102481	97411	144414	103833	117327	88317	120089	108089	85463	112185	159098	233314	243798	75248
L-Lysine	491549	455416	417487	483227	476243	414112	411356	275327	531855	367182	392444	577888	411102	505942	685673	537562	535694	478140	559564	574305	503506	519531	696475	711407	703186	643383	747955	646499	707351	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ursolic acid	1146699	775837	532986	659845	467043	634867	914798	1230374	1287667	952915	967653	880694	1118989	134807	574274	43613	52256	57756	65404	51304	34386	60003	58256	9536	27217	6920	27553	9522	124798	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Betulonic acid	254304	146763	182838	236736	162897	249152	283591	355997	418482	329993	394888	238363	396286	87846	180473	19400	0	14055	19211	18990	14533	14574	17502	12426	11951	16761	13966	19810	12229	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Cholic acid	1501175	1342219	1330755	1305874	3402028	1296614	1109514	356778	675981	1730339	612316	236998	1187892	226632	589582	0	0	0	0	0	0	0	0	0	0	0	0	0	0	9334	13891	12931	18439	5361	10955	15125	15350	52938	31727	5237	4339	14962	7155	16372	8739	4730	4553	4180	7320	3965	3371	3025	4873	5109	5634	6843	5689	11146
hydroxy hexadecanoic acid	2920226	2335649	2113926	3530109	2837782	2939139	1725065	2151885	1417686	1265698	1986995	1134495	2310046	1014258	1414250	1463088	1639194	1482017	1885351	1328589	690919	2213800	1542921	1220161	1124724	1527519	1471644	978135	1353019	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
2-hydroxystearic acid	43348	39661	41072	43720	39531	40708	21221	41093	29176	32140	60196	102436	40172	79020	119363	138833	60754	94917	91683	59010	57093	60871	79075	48655	90484	59490	40400	30680	51851	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
LPC-16:0	2566852	1896130	3086070	1199245	1775384	2278708	1531168	1376072	1214544	484750	1319717	770115	1662108	261522	1040978	877954	1354328	903266	1044759	1080416	904753	878149	595178	438152	517465	526438	920213	441082	557491	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
L-Phenylalanine	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	133765	154361	138055	154082	92580	173236	136041	85567	147832	114061	61661	72037	70408	61348	119275	122559	125952	68511	126783	67534	72625	113718	151950	139203	148148	141038	78588	105393	64099
PG(16:0/0:0)	6104856	10100000	7747058	3039910	1850981	3837904	2724861	10300000	3082366	2627895	2734739	4808197	4925079	1484553	1981907	1875955	1867289	1434182	1237008	1473521	1561104	1257904	2088623	1401065	1278848	2449032	1604866	1969447	1720672	178975	374715	293147	117012	200450	274123	366852	112973	161657	178119	113637	139223	118333	122270	99849	104710	122371	136710	101380	111998	122295	124346	122272	128691	131745	118194	159662	129322	127929
Succinic acid	988583	1395889	2014511	1076270	680574	986888	1513650	1630483	3679653	2314254	1312619	3530920	1506126	2856520	5025089	3117638	2108442	1939071	4555752	3439730	1481232	2714642	3748317	5633306	4150104	4083108	2903230	4375144	3749240	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Xanthine	3626446	4415062	4965450	4056944	5019772	4517763	4035375	2364813	3195958	2365619	2100286	4110251	1920994	7795613	4588251	5255573	5990258	7950567	6928539	5267033	7270222	6073534	3906841	7159753	8704903	5600400	3430674	4208128	4240827	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
9(Z),11(E)-Conjugated Linoleic Acid	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	530528	532984	1330651	381594	596533	409948	843151	288131	498184	828030	338141	526830	246143	308838	152784	245371	297542	398936	272337	393687	282108	357929	330769	243211	252574	333825	685970	596640	275304
Trehalose	2164045	1610926	1910900	1572544	1514332	1259085	1527316	1238825	1055822	832946	975092	1390672	986113	958750	705657	1028406	1114557	0	1083509	1043117	1002060	1221543	0	857311	945990	1266378	1290790	1400863	1217710	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
LPE(14:0)	856131	1112625	1319714	1056291	687979	1087842	1096670	1370286	2481408	964404	1807390	2112605	1835126	1216494	841767	1457613	1463938	1018874	1004442	1737481	376550	1565069	3525863	1990707	2204287	3202458	3036856	2685862	2935740	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Ornithine	470943	413980	402223	0	454259	384120	281007	227433	691041	578406	500930	373013	0	372509	654221	508731	686114	234787	770535	735906	943179	767330	854559	688086	861488	848131	958439	753402	920518	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
Uridine	1348403	933162	935613	879217	942930	717189	786118	518400	692964	508887	593393	933858	564173	861622	684534	813311	805747	704489	959117	808250	653416	981701	1200561	1007745	813143	906665	1161494	879848	989779	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
12-methyl myristic acid	516940	592820	768285	665380	437288	685042	596510	584377	1185914	538981	922385	910273	1139124	630840	440139	1188583	1260288	718373	795592	1364310	325061	1104615	1587048	1121609	1053645	1488818	1363584	1200959	1664686	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	HMDB ID	PubChem CID	KEGG number	Metabolite_ID (CAS# number)	LipidMaps
Eicosadienoic Acid
L-glutamic acid
?-Aminobutryic acid
Glutamine
LPC(14:0)
L-Lysine
Ursolic acid
Betulonic acid
Cholic acid
hydroxy hexadecanoic acid
2-hydroxystearic acid
LPC-16:0
L-Phenylalanine
PG(16:0/0:0)
Succinic acid
Xanthine
9(Z),11(E)-Conjugated Linoleic Acid
Trehalose
LPE(14:0)
Ornithine
Uridine
12-methyl myristic acid
METABOLITES_END
#END