#METABOLOMICS WORKBENCH EdwardChi_20250819_054632 DATATRACK_ID:6306 STUDY_ID:ST004124 ANALYSIS_ID:AN006837 PROJECT_ID:PR002592
VERSION             	1
CREATED_ON             	August 19, 2025, 1:19 pm
#PROJECT
PR:PROJECT_TITLE                 	Dietary cysteine enhances intestinal stemness via CD8+ T cell-derived IL22
PR:PROJECT_SUMMARY               	A fundamental question in physiology is understanding how tissues adapt and
PR:PROJECT_SUMMARY               	alter their cellular composition in response to dietary cues. The mammalian
PR:PROJECT_SUMMARY               	small intestine is maintained by rapidly renewing Lgr5+ intestinal stem cells
PR:PROJECT_SUMMARY               	(ISCs) that respond to macronutrient changes such as fasting regimens and
PR:PROJECT_SUMMARY               	obesogenic diets, yet how specific amino acids control ISC function during
PR:PROJECT_SUMMARY               	homeostasis and injury remains unclear. Here we demonstrate that dietary
PR:PROJECT_SUMMARY               	cysteine, a semi-essential amino acid, enhances ISC-mediated intestinal
PR:PROJECT_SUMMARY               	regeneration following injury. To explore the metabolic pathways influenced by
PR:PROJECT_SUMMARY               	cysteine in the small intestine and colon, we performed metabolomics analysis
PR:PROJECT_SUMMARY               	using high-pressure liquid chromatography-mass spectrometry (HPLC-MS). Cysteine
PR:PROJECT_SUMMARY               	contributes to Coenzyme A (CoA) biosynthesis in intestinal epithelial cells,
PR:PROJECT_SUMMARY               	which promotes expansion of intraepithelial CD8αβ+ T cells and their
PR:PROJECT_SUMMARY               	production of interleukin-22 (IL-22). This enhanced IL-22 signaling directly
PR:PROJECT_SUMMARY               	augments ISCs reparative capacity after injury.
PR:INSTITUTE                     	Koch Institute For Integrative Cancer Research at MIT
PR:LAST_NAME                     	CHI
PR:FIRST_NAME                    	FANGTAO
PR:ADDRESS                       	500 Main St building 76, Cambridge, MA 02139, Cambridge, MA, 02139, USA
PR:EMAIL                         	ftchizju@gmail.com
PR:PHONE                         	(617) 324-2577
#STUDY
ST:STUDY_TITLE                   	Dietary cysteine enhances intestinal stemness via CD8+ T cell-derived IL22
ST:STUDY_SUMMARY                 	To explore the metabolic pathways influenced by cysteine in the small intestine
ST:STUDY_SUMMARY                 	and colon, we performed metabolomics analysis using high-pressure liquid
ST:STUDY_SUMMARY                 	chromatography-mass spectrometry (HPLC-MS).
ST:INSTITUTE                     	Massachusetts Institute of Technology
ST:LAST_NAME                     	CHI
ST:FIRST_NAME                    	FANGTAO
ST:ADDRESS                       	500 Main St building 76, Cambridge, MA 02139
ST:EMAIL                         	ftchizju@gmail.com
ST:PHONE                         	(617) 324-2577
#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           	-	Col-QC-blank3_pos	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=Col-QC-blank3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-QC-blank3_neg	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=Col-QC-blank3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-1_pos	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-1_neg	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-2_pos	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-2_neg	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-3_pos	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-3_neg	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-4_pos	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-4_neg	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-5_pos	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCD-5_neg	Sample source:Colon | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=Col-WTCD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-1_pos	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-1_neg	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-2_pos	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-2_neg	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-3_pos	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-3_neg	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-4_pos	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-4_neg	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-5_pos	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	Col-WTCysRD-5_neg	Sample source:Colon | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=Col-WTCysRD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-QC-blank2_pos	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=SI-QC-blank2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-QC-blank2_neg	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=SI-QC-blank2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-1_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-1_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-2_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-2_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-3_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-3_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-4_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-4_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-5_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-5_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-6_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-6_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-6_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-6_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-7_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-7_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCD-7_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-WTCD-7_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-1_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-1_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-2_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-2_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-3_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-3_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-4_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-4_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-5_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-5_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-6_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-6_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-6_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-6_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-7_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-7_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-WTCysRD-7_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-WTCysRD-7_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-QC-blank2_pos	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=SI-iKO-QC-blank2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-QC-blank2_neg	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=SI-iKO-QC-blank2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-1_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-1_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-2_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-2_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-3_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-3_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-4_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-4_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-5_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CD-5_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=SI-iKO-CD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-1_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-1_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-2_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-2_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-3_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-3_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-4_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-4_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-5_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	SI-iKO-CysRD-5_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:CysRD	RAW_FILE_NAME(Raw file name)=SI-iKO-CysRD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-CD-QC-blank2_pos	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=0318-SI-CD-QC-blank2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-CD-QC-blank2_neg	Sample source:Blank | Genotype:Blank | Treatment:Blank	RAW_FILE_NAME(Raw file name)=0318-SI-CD-QC-blank2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-1_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-1_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-2_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-2_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-3_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-3_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-4_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-4_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-5_pos	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-WTCD-5_neg	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-WTCD-5_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-1_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-1_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-1_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-1_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-2_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-2_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-2_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-2_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-3_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-3_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-3_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-3_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-4_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-4_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-4_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-4_neg.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-5_pos	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-5_pos.mzXML
SUBJECT_SAMPLE_FACTORS           	-	0318-SI-iKOCD-5_neg	Sample source:Small Intestine | Genotype:Slc7a11-iKO | Treatment:Control	RAW_FILE_NAME(Raw file name)=0318-SI-iKOCD-5_neg.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	The small intestine and colon tissues were rapidly excised, rinsed twice in
CO:COLLECTION_SUMMARY            	150mM ammonium acetate, and snap-frozen in liquid nitrogen. The snap-frozen
CO:COLLECTION_SUMMARY            	tissues were homogenized to powder under liquid nitrogen with a pre-chilled
CO:COLLECTION_SUMMARY            	mortar and pestle. About 20mg of the tissue powder was used for metabolites
CO:COLLECTION_SUMMARY            	extraction in 80% MeOH with OMNI bead homogenizer (OMNI, 19-628). The
CO:COLLECTION_SUMMARY            	tissues/80%MeOH mixture was incubated for 24 hours at -80°C, spun at the top
CO:COLLECTION_SUMMARY            	speed (16,000g) for 20 minutes at 4°C. The supernatants were transferred into
CO:COLLECTION_SUMMARY            	new tubes and placed on ice. The sample pellets were resuspended in 500μl 0.2M
CO:COLLECTION_SUMMARY            	NaOH, heated at 95°C for 10 minutes, and the protein concentration was measured
CO:COLLECTION_SUMMARY            	by BCA assay using 1:10 dilution. Finally, the 500μg protein equivalent of MeOH
CO:COLLECTION_SUMMARY            	supernatants were dried using multivap nitrogen evaporator. Dried metabolites
CO:COLLECTION_SUMMARY            	were resuspended in 50% ACN:water at 50mg tissue extract/ml. 5μl was loaded
CO:COLLECTION_SUMMARY            	onto a Luna NH2 3um 100A (150 × 2.0 mm) column (Phenomenex) using a Vanquish
CO:COLLECTION_SUMMARY            	Flex UPLC (Thermo Scientific). The chromatographic separation was performed with
CO:COLLECTION_SUMMARY            	mobile phases A (5mM NH4AcO pH 9.9) and B (ACN) at a flow rate of 200μl/min. A
CO:COLLECTION_SUMMARY            	linear gradient from 15% A to 95% A over 18 minutes was followed by 7 minutes
CO:COLLECTION_SUMMARY            	isocratic flow at 95% A and reequilibration to 15% A. Metabolites were detected
CO:COLLECTION_SUMMARY            	with a Thermo Scientific Q Exactive mass spectrometer run with polarity
CO:COLLECTION_SUMMARY            	switching in full scan mode using a range of 70-975 m/z and 70.000 resolution.
CO:COLLECTION_SUMMARY            	Maven (v 8.1.27.11) was used to quantify the targeted polar metabolites by
CO:COLLECTION_SUMMARY            	AreaTop, using expected retention time and accurate mass measurements (< 5ppm)
CO:COLLECTION_SUMMARY            	for identification. Data analysis, including principal component analysis and
CO:COLLECTION_SUMMARY            	heat map generation was performed using in-house R scripts.
CO:SAMPLE_TYPE                   	Intestine
#TREATMENT
TR:TREATMENT_SUMMARY             	Cysteine-rich diet (Research Diets, D21081608) was provided to male and female
TR:TREATMENT_SUMMARY             	mice at the age of 8-12 weeks for 6 to 8 weeks. Control mice were provided a
TR:TREATMENT_SUMMARY             	purified control diet (Research Diets, D12450J).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The small intestine and colon tissues were rapidly excised, rinsed twice in
SP:SAMPLEPREP_SUMMARY            	150mM ammonium acetate, and snap-frozen in liquid nitrogen. The snap-frozen
SP:SAMPLEPREP_SUMMARY            	tissues were homogenized to powder under liquid nitrogen with a pre-chilled
SP:SAMPLEPREP_SUMMARY            	mortar and pestle. About 20mg of the tissue powder was used for metabolites
SP:SAMPLEPREP_SUMMARY            	extraction in 80% MeOH with OMNI bead homogenizer (OMNI, 19-628). The
SP:SAMPLEPREP_SUMMARY            	tissues/80%MeOH mixture was incubated for 24 hours at -80°C, spun at the top
SP:SAMPLEPREP_SUMMARY            	speed (16,000g) for 20 minutes at 4°C. The supernatants were transferred into
SP:SAMPLEPREP_SUMMARY            	new tubes and placed on ice. The sample pellets were resuspended in 500μl 0.2M
SP:SAMPLEPREP_SUMMARY            	NaOH, heated at 95°C for 10 minutes, and the protein concentration was measured
SP:SAMPLEPREP_SUMMARY            	by BCA assay using 1:10 dilution. Finally, the 500μg protein equivalent of MeOH
SP:SAMPLEPREP_SUMMARY            	supernatants were dried using multivap nitrogen evaporator. Dried metabolites
SP:SAMPLEPREP_SUMMARY            	were resuspended in 50% ACN:water at 50mg tissue extract/ml. 5μl was loaded
SP:SAMPLEPREP_SUMMARY            	onto a Luna NH2 3um 100A (150 × 2.0 mm) column (Phenomenex) using a Vanquish
SP:SAMPLEPREP_SUMMARY            	Flex UPLC (Thermo Scientific).
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Phenomenex Luna NH2 (150 x 2.1mm,3um)
CH:SOLVENT_A                     	5mM NH4AcO pH 9.9
CH:SOLVENT_B                     	ACN
CH:FLOW_GRADIENT                 	15% A to 95% A
CH:FLOW_RATE                     	200μl/min
CH:COLUMN_TEMPERATURE            	27
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	UNSPECIFIED
MS:MS_COMMENTS                   	Both positive and negative polarities were collected in the same acquisition
MS:MS_COMMENTS                   	during polarity switching mechanism.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	intensity
MS_METABOLITE_DATA_START
Samples	SI-WTCD-1_pos	SI-WTCD-1_neg	SI-WTCD-2_pos	SI-WTCD-2_neg	SI-WTCD-3_pos	SI-WTCD-3_neg	SI-WTCD-4_pos	SI-WTCD-4_neg	SI-WTCD-5_pos	SI-WTCD-5_neg	SI-WTCD-6_pos	SI-WTCD-6_neg	SI-WTCD-7_pos	SI-WTCD-7_neg	SI-WTCysRD-1_pos	SI-WTCysRD-1_neg	SI-WTCysRD-2_pos	SI-WTCysRD-2_neg	SI-WTCysRD-3_pos	SI-WTCysRD-3_neg	SI-WTCysRD-4_pos	SI-WTCysRD-4_neg	SI-WTCysRD-5_pos	SI-WTCysRD-5_neg	SI-WTCysRD-6_pos	SI-WTCysRD-6_neg	SI-WTCysRD-7_pos	SI-WTCysRD-7_neg
Factors	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:Control	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD	Sample source:Small Intestine | Genotype:Wild-type | Treatment:CysRD
Citrulline	51935408	N/A	45200704	N/A	43660448	N/A	49856948	N/A	52392756	N/A	45121548	N/A	32161472	N/A	23664584	N/A	27309326	N/A	36616372	N/A	38497884	N/A	42501056	N/A	43130732	N/A	28737192	N/A
Phosphocholine	92524136	N/A	93731904	N/A	88438328	N/A	122243000	N/A	90787808	N/A	98198760	N/A	83710600	N/A	77176104	N/A	75464104	N/A	110483616	N/A	76542040	N/A	78328296	N/A	79632088	N/A	75671344	N/A
Tyrosine	61418148	N/A	60179200	N/A	80359864	N/A	49813172	N/A	93305856	N/A	47746704	N/A	45151520	N/A	33761460	N/A	125397096	N/A	75621880	N/A	71084272	N/A	112703976	N/A	90901632	N/A	51249856	N/A
Orotidine	N/A	7202588	N/A	6852162	N/A	7886032	N/A	6374856	N/A	6703232	N/A	6609264	N/A	6149050	N/A	5873862	N/A	5990646	N/A	5596738	N/A	6701120	N/A	5888454	N/A	6383594	N/A	6121750
Phosphoethanolamine	N/A	13549208	N/A	12218180	N/A	13969517	N/A	11042142	N/A	12265987	N/A	13732793	N/A	11169664	N/A	11484108	N/A	8725115	N/A	12535817	N/A	11476367	N/A	10378159	N/A	10534283	N/A	10202223
Cysteine	95979	N/A	64259	N/A	102956	N/A	67430	N/A	100188	N/A	117701	N/A	116614	N/A	515684	N/A	492599	N/A	479793	N/A	762926	N/A	698022	N/A	809104	N/A	320984	N/A
Cystine	10808	N/A	43291	N/A	24671	N/A	0	N/A	19444	N/A	11583	N/A	14097	N/A	637566	N/A	336132	N/A	84016	N/A	331120	N/A	133124	N/A	225649	N/A	94219	N/A
Glutathione	71012376	N/A	43169628	N/A	66266164	N/A	84493944	N/A	66238220	N/A	75407680	N/A	48394100	N/A	98256584	N/A	100383640	N/A	109926920	N/A	106576936	N/A	190691072	N/A	115372120	N/A	84444712	N/A
Methionine	39120684	N/A	35672612	N/A	48316108	N/A	36437492	N/A	55002832	N/A	33202774	N/A	23615200	N/A	34385892	N/A	80437880	N/A	54580932	N/A	63412196	N/A	72335352	N/A	68625216	N/A	40315156	N/A
NADH	1038698	N/A	816162	N/A	760584	N/A	652351	N/A	747347	N/A	363413	N/A	492277	N/A	1914617	N/A	3620709	N/A	3739969	N/A	1176966	N/A	1502492	N/A	807406	N/A	1938939	N/A
NADPH	9253	N/A	14432	N/A	8373	N/A	7820	N/A	12423	N/A	3422	N/A	7083	N/A	57570	N/A	68578	N/A	94248	N/A	33038	N/A	7367	N/A	13158	N/A	29507	N/A
g-GluCys	108469	N/A	30066	N/A	105845	N/A	87874	N/A	79687	N/A	75553	N/A	64603	N/A	181657	N/A	318144	N/A	311531	N/A	258159	N/A	384558	N/A	436371	N/A	205125	N/A
Choline	90557056	N/A	100720408	N/A	97043048	N/A	107499736	N/A	94504456	N/A	105469248	N/A	79587592	N/A	87423520	N/A	118820456	N/A	145814672	N/A	110360328	N/A	122433384	N/A	123343264	N/A	99239016	N/A
CoA	32038	N/A	35785	N/A	35789	N/A	40838	N/A	27185	N/A	31437	N/A	45342	N/A	41255	N/A	61134	N/A	90884	N/A	62126	N/A	50569	N/A	47822	N/A	68167	N/A
Acetyl-CoA	337411	N/A	369652	N/A	283401	N/A	380344	N/A	251215	N/A	189939	N/A	300562	N/A	339170	N/A	433743	N/A	637917	N/A	525768	N/A	488740	N/A	399299	N/A	462098	N/A
Propanoyl-CoA	6182	N/A	8070	N/A	8606	N/A	8137	N/A	6683	N/A	9531	N/A	9201	N/A	5640	N/A	18083	N/A	13876	N/A	14674	N/A	12299	N/A	16525	N/A	11459	N/A
Malonyl-CoA	310	N/A	358	N/A	185	N/A	165	N/A	138	N/A	129	N/A	1035	N/A	562	N/A	1174	N/A	1076	N/A	1235	N/A	548	N/A	362	N/A	1186	N/A
Isobutyryl-CoA	6591	N/A	6966	N/A	9998	N/A	9705	N/A	6290	N/A	7022	N/A	7974	N/A	7413	N/A	11140	N/A	17257	N/A	10792	N/A	15308	N/A	11894	N/A	18222	N/A
Glucose	N/A	37750900	N/A	67584056	N/A	63697392	N/A	10961681	N/A	68370616	N/A	12111304	N/A	32020202	N/A	96812992	N/A	263054656	N/A	221572176	N/A	255174160	N/A	336552704	N/A	304754944	N/A	62183200
Hexose phosphate	N/A	15613900	N/A	14994659	N/A	15221815	N/A	10053099	N/A	16914160	N/A	8613661	N/A	12768712	N/A	11710803	N/A	28353506	N/A	20421328	N/A	24731726	N/A	34719044	N/A	26843174	N/A	14248491
Fructose-1_6-bisphosphate	N/A	3713826	N/A	5983276	N/A	5213572	N/A	2559339	N/A	5284394	N/A	3607984	N/A	4889682	N/A	6551530	N/A	11176248	N/A	9440105	N/A	11479456	N/A	11563787	N/A	8445985	N/A	5897116
Dihydroxyacetone-phosphate	N/A	251903	N/A	415690	N/A	409406	N/A	148751	N/A	276780	N/A	219661	N/A	143448	N/A	646590	N/A	527617	N/A	490620	N/A	552626	N/A	431705	N/A	626916	N/A	389222
Sorbitol	7301902	N/A	3811816	N/A	4220368	N/A	2299571	N/A	4906757	N/A	2388861	N/A	2293484	N/A	6530144	N/A	25546120	N/A	12260989	N/A	18035706	N/A	23522962	N/A	20619362	N/A	4236080	N/A
Fructose	N/A	1701204	N/A	1076986	N/A	1091789	N/A	522540	N/A	1733710	N/A	635588	N/A	434251	N/A	1477269	N/A	6431110	N/A	4184977	N/A	5999946	N/A	8643978	N/A	6711974	N/A	1101081
Glucosamine	613264	N/A	1370785	N/A	1028041	N/A	500625	N/A	735381	N/A	311087	N/A	510747	N/A	589613	N/A	13640333	N/A	5110658	N/A	3692936	N/A	8711767	N/A	6136018	N/A	719017	N/A
UDP-N-acetylglucosamine	N/A	22859080	N/A	20074314	N/A	21782210	N/A	19056834	N/A	21795068	N/A	20254038	N/A	19099992	N/A	19928800	N/A	21730024	N/A	24319590	N/A	28390478	N/A	31601046	N/A	28240950	N/A	21497890
6-Phosphogluconate	N/A	491804	N/A	918683	N/A	986356	N/A	443816	N/A	539175	N/A	920238	N/A	756603	N/A	1021484	N/A	1865817	N/A	1861602	N/A	2210157	N/A	1540769	N/A	2430806	N/A	1473835
Sedoheptulose-7-phosphate	N/A	708289	N/A	845232	N/A	672712	N/A	484709	N/A	578014	N/A	531455	N/A	341527	N/A	617695	N/A	705850	N/A	704701	N/A	836294	N/A	906317	N/A	913906	N/A	714174
Gluconic acid	N/A	130876040	N/A	113281512	N/A	106033752	N/A	84552520	N/A	106547712	N/A	97874088	N/A	81903392	N/A	162205248	N/A	130914560	N/A	171988624	N/A	146174192	N/A	152626544	N/A	166682976	N/A	139235728
ATP	N/A	5752840	N/A	5150158	N/A	4184541	N/A	4907164	N/A	4483842	N/A	4509376	N/A	5698574	N/A	5157668	N/A	5862038	N/A	9838244	N/A	8154020	N/A	8238886	N/A	5120010	N/A	7328774
CTP	N/A	35089	N/A	93655	N/A	35989	N/A	46773	N/A	70485	N/A	100957	N/A	79773	N/A	90649	N/A	115090	N/A	124355	N/A	99608	N/A	97863	N/A	68512	N/A	162297
GTP	N/A	53585	N/A	113963	N/A	79952	N/A	87061	N/A	104075	N/A	95040	N/A	144736	N/A	90503	N/A	124800	N/A	182632	N/A	189918	N/A	128644	N/A	143522	N/A	162153
Inosine monophosphate	N/A	2533006	N/A	2780409	N/A	4022104	N/A	2222786	N/A	2671250	N/A	3543535	N/A	3632392	N/A	4873076	N/A	4128916	N/A	4714044	N/A	3726064	N/A	4178972	N/A	4689400	N/A	4021946
Glutamine	N/A	24867472	N/A	24327274	N/A	33480566	N/A	16983428	N/A	46994476	N/A	10624273	N/A	16157679	N/A	32026256	N/A	79357448	N/A	39774756	N/A	76424232	N/A	54753420	N/A	82233376	N/A	27614634
Proline	162430992	N/A	149001472	N/A	217622144	N/A	131161016	N/A	231680128	N/A	93616344	N/A	98173408	N/A	154993872	N/A	341724896	N/A	228985616	N/A	292413440	N/A	286418144	N/A	273392320	N/A	144327904	N/A
Lysine	12114867	N/A	8330658	N/A	13491933	N/A	11929735	N/A	15525339	N/A	8153134	N/A	6684812	N/A	9793810	N/A	27190518	N/A	17341546	N/A	18134494	N/A	20176002	N/A	19532830	N/A	8710436	N/A
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	KEGG ID
Citrulline	C00327
Phosphocholine	C00588
Tyrosine	C00082
Orotidine	X00006
Phosphoethanolamine	C00346
Cysteine	C00097
Cystine	C00491
Glutathione	C00051
Methionine	C00073
NADH	C00004
NADPH	C00005
g-GluCys	C00669
Choline	C00114
CoA	C00010
Acetyl-CoA	C00024
Propanoyl-CoA	C00100
Malonyl-CoA	C00083
Isobutyryl-CoA	C00630
Glucose	C00031
Hexose phosphate	NA
Fructose-1_6-bisphosphate	C00354
Dihydroxyacetone-phosphate	C00111
Sorbitol	C00794
Fructose	C00095
Glucosamine	C00329
UDP-N-acetylglucosamine	C00043
6-Phosphogluconate	C00345
Sedoheptulose-7-phosphate	C05382
Gluconic acid	C00257
ATP	C00002
CTP	C00063
GTP	C00044
Inosine monophosphate	C00130
Glutamine	C00064
Proline	C00148
Lysine	C00047
METABOLITES_END
#END