#METABOLOMICS WORKBENCH Kkim_20240923_225008 DATATRACK_ID:5216 STUDY_ID:ST003527 ANALYSIS_ID:AN005792 PROJECT_ID:PR002170
VERSION             	1
CREATED_ON             	October 21, 2024, 7:32 am
#PROJECT
PR:PROJECT_TITLE                 	Combining antibiotics alters the longitudinal maturation of gut microbiota and
PR:PROJECT_TITLE                 	its short chain fatty acid metabolites in extremely and very preterm infants
PR:PROJECT_TYPE                  	Targeted metabolomics
PR:PROJECT_SUMMARY               	Antibiotics are routinely prescribed to extremely and very premature infants as
PR:PROJECT_SUMMARY               	a pre-emptive and prophylactic treatment to reduce the risk of acute neonatal
PR:PROJECT_SUMMARY               	illness (i.e. necrotizing enterocolitis, NEC) associated with morbidity. To
PR:PROJECT_SUMMARY               	investigate the effects of antibiotic types, combinations, and duration on the
PR:PROJECT_SUMMARY               	preterm gut microbiome and metabolome, we analyzed the microbiome compositions
PR:PROJECT_SUMMARY               	of 123 stool samples collected at 3 timepoints (postnatal day 1, 28 and 56) from
PR:PROJECT_SUMMARY               	extremely- and very-low-birthweight infants treated with 14 different
PR:PROJECT_SUMMARY               	antibiotics spanning across 5 classes. Targeted metabolomics were performed on
PR:PROJECT_SUMMARY               	47 samples available, allowing us to quantify 649 metabolites including amino
PR:PROJECT_SUMMARY               	acids, bile acids, fatty acids, and lipids. As a result, we found that
PR:PROJECT_SUMMARY               	antibiotics exerted the most profound disruptive impact on the gut microbiota,
PR:PROJECT_SUMMARY               	while antibiotics and breastfeeding highly influence the gut metabolome. Short
PR:PROJECT_SUMMARY               	chain fatty acids were reduced in both antibiotic-treated and NEC group.
PR:PROJECT_SUMMARY               	Finally, we revealed that cephalosporins negatively impact conjugated bile acids
PR:PROJECT_SUMMARY               	due to a positive correlation with bile salt hydrolase-producing Staphylococcus.
PR:INSTITUTE                     	Seoul National University
PR:LAST_NAME                     	Kyeong-Seog
PR:FIRST_NAME                    	Kim
PR:ADDRESS                       	Jongno-Gu, South Korea
PR:EMAIL                         	92kkim@gmail.com
PR:PHONE                         	+8227408905
#STUDY
ST:STUDY_TITLE                   	Combining antibiotics alters the longitudinal maturation of gut microbiota and
ST:STUDY_TITLE                   	its short chain fatty acid metabolites in extremely and very preterm infants
ST:STUDY_SUMMARY                 	Antibiotics are routinely prescribed to extremely and very premature infants as
ST:STUDY_SUMMARY                 	a pre-emptive and prophylactic treatment to reduce the risk of acute neonatal
ST:STUDY_SUMMARY                 	illness (i.e. necrotizing enterocolitis, NEC) associated with morbidity. To
ST:STUDY_SUMMARY                 	investigate the effects of antibiotic types, combinations, and duration on the
ST:STUDY_SUMMARY                 	preterm gut microbiome and metabolome, we analyzed the microbiome compositions
ST:STUDY_SUMMARY                 	of 123 stool samples collected at 3 timepoints (postnatal day 1, 28 and 56) from
ST:STUDY_SUMMARY                 	extremely- and very-low-birthweight infants treated with 14 different
ST:STUDY_SUMMARY                 	antibiotics spanning across 5 classes. Targeted metabolomics were performed on
ST:STUDY_SUMMARY                 	47 samples available, allowing us to quantify 649 metabolites including amino
ST:STUDY_SUMMARY                 	acids, bile acids, fatty acids, and lipids. As a result, we found that
ST:STUDY_SUMMARY                 	antibiotics exerted the most profound disruptive impact on the gut microbiota,
ST:STUDY_SUMMARY                 	while antibiotics and breastfeeding highly influence the gut metabolome. Short
ST:STUDY_SUMMARY                 	chain fatty acids were reduced in both antibiotic-treated and NEC group.
ST:STUDY_SUMMARY                 	Finally, we revealed that cephalosporins negatively impact conjugated bile acids
ST:STUDY_SUMMARY                 	due to a positive correlation with bile salt hydrolase-producing Staphylococcus.
ST:INSTITUTE                     	Seoul National University
ST:LAST_NAME                     	Kyeong-Seog
ST:FIRST_NAME                    	Kim
ST:ADDRESS                       	Jongno-Gu, South Korea
ST:EMAIL                         	92kkim@gmail.com
ST:PHONE                         	+8227408905
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#FACTORS
#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           	Feces_01	NEC01_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847278; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_50_0_1_1_00_1046847278.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_50_1_1_1_00_1046847278.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_50_0_1_1_00_1046847278.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_50_1_1_1_00_1046847278.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_01.d
SUBJECT_SAMPLE_FACTORS           	Feces_02	PRE24_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847282; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_62_0_1_1_00_1046847282.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_62_1_1_1_00_1046847282.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_62_0_1_1_00_1046847282.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_62_1_1_1_00_1046847282.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_02.d
SUBJECT_SAMPLE_FACTORS           	Feces_03	PRE02_D1	Sample source:Feces | Group:1day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847297; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_74_0_1_1_00_1046847297.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_74_1_1_1_00_1046847297.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_74_0_1_1_00_1046847297.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_74_1_1_1_00_1046847297.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_03.d
SUBJECT_SAMPLE_FACTORS           	Feces_04	PRE29_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847308; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_86_0_1_1_00_1046847308.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_86_1_1_1_00_1046847308.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_86_0_1_1_00_1046847308.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_86_1_1_1_00_1046847308.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_04.d
SUBJECT_SAMPLE_FACTORS           	Feces_05	PRE03_D1	Sample source:Feces | Group:1day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847312; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_03_0_1_1_00_1046847312.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_03_1_1_1_00_1046847312.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_03_0_1_1_00_1046847312.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_03_1_1_1_00_1046847312.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_05.d
SUBJECT_SAMPLE_FACTORS           	Feces_06	NEC03_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847327; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_15_0_1_1_00_1046847327.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_15_1_1_1_00_1046847327.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_15_0_1_1_00_1046847327.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_15_1_1_1_00_1046847327.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_06.d
SUBJECT_SAMPLE_FACTORS           	Feces_07	NEC03_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847331; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_27_0_1_1_00_1046847331.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_27_1_1_1_00_1046847331.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_27_0_1_1_00_1046847331.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_27_1_1_1_00_1046847331.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_07.d
SUBJECT_SAMPLE_FACTORS           	Feces_08	PRE09_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847346; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_39_0_1_1_00_1046847346.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_39_1_1_1_00_1046847346.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_39_0_1_1_00_1046847346.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_39_1_1_1_00_1046847346.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_08.d
SUBJECT_SAMPLE_FACTORS           	Feces_09	PRE10_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847351; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_51_0_1_1_00_1046847351.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_51_1_1_1_00_1046847351.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_51_0_1_1_00_1046847351.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_51_1_1_1_00_1046847351.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_09.d
SUBJECT_SAMPLE_FACTORS           	Feces_10	PRE13_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847365; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_63_0_1_1_00_1046847365.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_63_1_1_1_00_1046847365.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_63_0_1_1_00_1046847365.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_63_1_1_1_00_1046847365.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_10.d
SUBJECT_SAMPLE_FACTORS           	Feces_11	PRE05_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847370; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_75_0_1_1_00_1046847370.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_75_1_1_1_00_1046847370.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_75_0_1_1_00_1046847370.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_75_1_1_1_00_1046847370.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_11.d
SUBJECT_SAMPLE_FACTORS           	Feces_12	PRE13_D56	Sample source:Feces | Group:56day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847384; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_87_0_1_1_00_1046847384.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_87_1_1_1_00_1046847384.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_87_0_1_1_00_1046847384.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_87_1_1_1_00_1046847384.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_12.d
SUBJECT_SAMPLE_FACTORS           	Feces_13	PRE09_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847399; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_04_0_1_1_00_1046847399.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_04_1_1_1_00_1046847399.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_04_0_1_1_00_1046847399.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_04_1_1_1_00_1046847399.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_13.d
SUBJECT_SAMPLE_FACTORS           	Feces_14	PRE05_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046847400; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_16_0_1_1_00_1046847400.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_16_1_1_1_00_1046847400.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_16_0_1_1_00_1046847400.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_16_1_1_1_00_1046847400.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_14.d
SUBJECT_SAMPLE_FACTORS           	Feces_15	NEC03_D1	Sample source:Feces | Group:1day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046840996; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_28_0_1_1_00_1046840996.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_28_1_1_1_00_1046840996.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_28_0_1_1_00_1046840996.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_28_1_1_1_00_1046840996.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_15.d
SUBJECT_SAMPLE_FACTORS           	Feces_16	NEC04_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841008; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_40_0_1_1_00_1046841008.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_40_1_1_1_00_1046841008.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_40_0_1_1_00_1046841008.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_40_1_1_1_00_1046841008.wiff; RAW_FILE_NAME(GC_SCFA)=Not assayed
SUBJECT_SAMPLE_FACTORS           	Feces_17	PRE27_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841012; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_52_0_1_1_00_1046841012.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_52_1_1_1_00_1046841012.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_52_0_1_1_00_1046841012.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_52_1_1_1_00_1046841012.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_17.d
SUBJECT_SAMPLE_FACTORS           	Feces_18	NEC05_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841027; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_64_0_1_1_00_1046841027.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_64_1_1_1_00_1046841027.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_64_0_1_1_00_1046841027.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_64_1_1_1_00_1046841027.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_18.d
SUBJECT_SAMPLE_FACTORS           	Feces_19	PRE21_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841031; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_76_0_1_1_00_1046841031.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_76_1_1_1_00_1046841031.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_76_0_1_1_00_1046841031.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_76_1_1_1_00_1046841031.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_19.d
SUBJECT_SAMPLE_FACTORS           	Feces_20	NEC06_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841046; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_88_0_1_1_00_1046841046.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_88_1_1_1_00_1046841046.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_88_0_1_1_00_1046841046.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_88_1_1_1_00_1046841046.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_20.d
SUBJECT_SAMPLE_FACTORS           	Feces_21	NEC01_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841051; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_05_0_1_1_00_1046841051.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_05_1_1_1_00_1046841051.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_05_0_1_1_00_1046841051.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_05_1_1_1_00_1046841051.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_21.d
SUBJECT_SAMPLE_FACTORS           	Feces_22	PRE24_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841065; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_17_0_1_1_00_1046841065.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_17_1_1_1_00_1046841065.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_17_0_1_1_00_1046841065.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_17_1_1_1_00_1046841065.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_22.d
SUBJECT_SAMPLE_FACTORS           	Feces_23	PRE26_D1	Sample source:Feces | Group:1day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841070; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_29_0_1_1_00_1046841070.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_29_1_1_1_00_1046841070.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_29_0_1_1_00_1046841070.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_29_1_1_1_00_1046841070.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_23.d
SUBJECT_SAMPLE_FACTORS           	Feces_24	PRE27_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841084; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_41_0_1_1_00_1046841084.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_41_1_1_1_00_1046841084.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_41_0_1_1_00_1046841084.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_41_1_1_1_00_1046841084.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_24.d
SUBJECT_SAMPLE_FACTORS           	Feces_25	PRE26_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841099; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_53_0_1_1_00_1046841099.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_53_1_1_1_00_1046841099.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_53_0_1_1_00_1046841099.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_53_1_1_1_00_1046841099.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_25.d
SUBJECT_SAMPLE_FACTORS           	Feces_26	NEC05_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841100; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_65_0_1_1_00_1046841100.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_65_1_1_1_00_1046841100.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_65_0_1_1_00_1046841100.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_65_1_1_1_00_1046841100.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_26.d
SUBJECT_SAMPLE_FACTORS           	Feces_27	PRE27_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841114; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_77_0_1_1_00_1046841114.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_77_1_1_1_00_1046841114.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_77_0_1_1_00_1046841114.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_77_1_1_1_00_1046841114.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_27.d
SUBJECT_SAMPLE_FACTORS           	Feces_28	PRE26_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841129; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_89_0_1_1_00_1046841129.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_89_1_1_1_00_1046841129.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_89_0_1_1_00_1046841129.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_89_1_1_1_00_1046841129.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_28.d
SUBJECT_SAMPLE_FACTORS           	Feces_29	PRE03_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841133; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_06_0_1_1_00_1046841133.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_06_1_1_1_00_1046841133.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_06_0_1_1_00_1046841133.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_06_1_1_1_00_1046841133.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_29.d
SUBJECT_SAMPLE_FACTORS           	Feces_30	PRE02_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841148; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_18_0_1_1_00_1046841148.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_18_1_1_1_00_1046841148.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_18_0_1_1_00_1046841148.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_18_1_1_1_00_1046841148.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_30.d
SUBJECT_SAMPLE_FACTORS           	Feces_31	PRE29_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841152; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_30_0_1_1_00_1046841152.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_30_1_1_1_00_1046841152.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_30_0_1_1_00_1046841152.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_30_1_1_1_00_1046841152.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_31.d
SUBJECT_SAMPLE_FACTORS           	Feces_32	PRE21_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841167; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_42_0_1_1_00_1046841167.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_42_1_1_1_00_1046841167.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_42_0_1_1_00_1046841167.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_42_1_1_1_00_1046841167.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_32.d
SUBJECT_SAMPLE_FACTORS           	Feces_33	PRE31_D1	Sample source:Feces | Group:1day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046841171; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_54_0_1_1_00_1046841171.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_54_1_1_1_00_1046841171.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_54_0_1_1_00_1046841171.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_54_1_1_1_00_1046841171.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_33.d
SUBJECT_SAMPLE_FACTORS           	Feces_34	PRE32_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843271; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_66_0_1_1_00_1046843271.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_66_1_1_1_00_1046843271.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_66_0_1_1_00_1046843271.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_66_1_1_1_00_1046843271.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_34.d
SUBJECT_SAMPLE_FACTORS           	Feces_35	PRE38_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843286; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_78_0_1_1_00_1046843286.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_78_1_1_1_00_1046843286.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_78_0_1_1_00_1046843286.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_78_1_1_1_00_1046843286.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_35.d
SUBJECT_SAMPLE_FACTORS           	Feces_36	PRE30_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843291; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_90_0_1_1_00_1046843291.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_90_1_1_1_00_1046843291.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_90_0_1_1_00_1046843291.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_90_1_1_1_00_1046843291.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_36.d
SUBJECT_SAMPLE_FACTORS           	Feces_37	PRE32_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843301; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_07_0_1_1_00_1046843301.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_07_1_1_1_00_1046843301.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_07_0_1_1_00_1046843301.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_07_1_1_1_00_1046843301.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_37.d
SUBJECT_SAMPLE_FACTORS           	Feces_38	PRE39_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843316; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_31_0_1_1_00_1046843316.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_31_1_1_1_00_1046843316.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_31_0_1_1_00_1046843316.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_31_1_1_1_00_1046843316.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_38.d
SUBJECT_SAMPLE_FACTORS           	Feces_39	PRE44_D1	Sample source:Feces | Group:1day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843321; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_43_0_1_1_00_1046843321.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_43_1_1_1_00_1046843321.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_43_0_1_1_00_1046843321.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_43_1_1_1_00_1046843321.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_39.d
SUBJECT_SAMPLE_FACTORS           	Feces_40	PRE38_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843335; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_55_0_1_1_00_1046843335.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_55_1_1_1_00_1046843335.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_55_0_1_1_00_1046843335.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_55_1_1_1_00_1046843335.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_40.d
SUBJECT_SAMPLE_FACTORS           	Feces_41	PRE39_D28	Sample source:Feces | Group:28day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843340; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_67_0_1_1_00_1046843340.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_67_1_1_1_00_1046843340.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_67_0_1_1_00_1046843340.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_67_1_1_1_00_1046843340.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_41.d
SUBJECT_SAMPLE_FACTORS           	Feces_42	PRE31_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843354; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_79_0_1_1_00_1046843354.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_79_1_1_1_00_1046843354.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_79_0_1_1_00_1046843354.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_79_1_1_1_00_1046843354.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_42.d
SUBJECT_SAMPLE_FACTORS           	Feces_43	PRE32_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843369; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_91_0_1_1_00_1046843369.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_91_1_1_1_00_1046843369.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_91_0_1_1_00_1046843369.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_91_1_1_1_00_1046843369.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_43.d
SUBJECT_SAMPLE_FACTORS           	Feces_44	PRE44_D28	Sample source:Feces | Group:28day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843373; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_08_0_1_1_00_1046843373.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_08_1_1_1_00_1046843373.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_08_0_1_1_00_1046843373.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_08_1_1_1_00_1046843373.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_44.d
SUBJECT_SAMPLE_FACTORS           	Feces_45	PRE38_D56	Sample source:Feces | Group:56day | Antibiotics:No	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843388; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_20_0_1_1_00_1046843388.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_20_1_1_1_00_1046843388.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_20_0_1_1_00_1046843388.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_20_1_1_1_00_1046843388.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_45.d
SUBJECT_SAMPLE_FACTORS           	Feces_46	PRE39_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843392; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_32_0_1_1_00_1046843392.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_32_1_1_1_00_1046843392.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_32_0_1_1_00_1046843392.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_32_1_1_1_00_1046843392.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_46.d
SUBJECT_SAMPLE_FACTORS           	Feces_47	PRE44_D56	Sample source:Feces | Group:56day | Antibiotics:Yes	RAW_FILE_NAME(Biocrates_ID (wiff))=1046843403; RAW_FILE_NAME(LC1_Biocrates)=MXP500L-0-5512_1046847433_44_0_1_1_00_1046843403.wiff; RAW_FILE_NAME(LC2_Biocrates)=MXP500L-0-5512_1046847433_44_1_1_1_00_1046843403.wiff; RAW_FILE_NAME(FIA1_Biocrates)=MXP500F-0-5502_1046847448_44_0_1_1_00_1046843403.wiff; RAW_FILE_NAME(FIA2_Biocrates)=MXP500F-0-5502_1046847448_44_1_1_1_00_1046843403.wiff; RAW_FILE_NAME(GC_SCFA)=08_PI_F_47.d
#COLLECTION
CO:COLLECTION_SUMMARY            	All samples were obtained from infants who were born and admitted to the NICU at
CO:COLLECTION_SUMMARY            	Samsung Medical Center in Seoul, after taking informed consent from parents. The
CO:COLLECTION_SUMMARY            	institutional review board of Samsung Medical Center approved the collection of
CO:COLLECTION_SUMMARY            	samples and clinical data (approval number 2021-02-038). The study was conducted
CO:COLLECTION_SUMMARY            	in accordance with the principles outlined in the Declaration of Helsinki. A
CO:COLLECTION_SUMMARY            	total of 47 stool samples from the patient cohort were collected on days 1, 28,
CO:COLLECTION_SUMMARY            	and 56 after birth with a minimum of one sample per subject (Day in Study
CO:COLLECTION_SUMMARY            	Design).
CO:SAMPLE_TYPE                   	Feces
CO:COLLECTION_METHOD             	Using a sterile plastic spoon and adhering to aseptic protocols, approximately
CO:COLLECTION_METHOD             	1g of feces were collected
CO:COLLECTION_LOCATION           	NICU at Samsung Medical Center in Seoul
CO:COLLECTION_FREQUENCY          	NA
CO:COLLECTION_DURATION           	approx. 3 years
CO:VOLUMEORAMOUNT_COLLECTED      	approx. 1g
CO:STORAGE_CONDITIONS            	-80℃
CO:COLLECTION_VIALS              	2.0 mL cryovial
CO:STORAGE_VIALS                 	2.0 mL cryovial
CO:COLLECTION_TUBE_TEMP          	-80C
CO:ADDITIVES                     	NA
#TREATMENT
TR:TREATMENT_SUMMARY             	14 types of antibiotics were used for each preterm infant with the specific
TR:TREATMENT_SUMMARY             	antibiotics varying based on the individual, namely gentamicin, cefazolin,
TR:TREATMENT_SUMMARY             	vancomycin, meropenem, tazoferan, fluconazole, amphotericin, ampicillin,
TR:TREATMENT_SUMMARY             	nafcillin, cefotaxime, teicoplanin, clarithromycin, cefepime, and amikacin. Of
TR:TREATMENT_SUMMARY             	the 54 subjects, 38 received antibiotics treatment more than once (Antibiotics =
TR:TREATMENT_SUMMARY             	Yes in Study Design).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For metabolome extraction from stool samples, 2-propanol was added at the 1 mg:
SP:SAMPLEPREP_SUMMARY            	3 µL ratio. The mixture was vortexed vigorously until the stools are entirely
SP:SAMPLEPREP_SUMMARY            	homogenized, and then centrifuged to remove stool debris for 5 min at 18,341 ×
SP:SAMPLEPREP_SUMMARY            	g and 4°C. Finally, the supernatant was collected for further analysis
SP:SAMPLEPREP_SUMMARY            	including targeted metabolomics using the MxP Quant 500 kit provided by
SP:SAMPLEPREP_SUMMARY            	Biocrates (Biocrates Life Science AG, Innsbruck, Austria), and for the analysis
SP:SAMPLEPREP_SUMMARY            	of SCFAs as described previously [10.3390/metabo12060525]. Briefly, for MxP
SP:SAMPLEPREP_SUMMARY            	Quant 500 kit assay, 10 µL of stool extract was used and the stool metabolome
SP:SAMPLEPREP_SUMMARY            	was derivatized with phenylisothiocyanate per manufacturer’s instruction. For
SP:SAMPLEPREP_SUMMARY            	the extraction of SCFAs, 10 µL of 10 µg/mL of acetic acid-d4, which was used
SP:SAMPLEPREP_SUMMARY            	for internal standard (IS) was added to the 30 µL of stool extract. Then, 0.1
SP:SAMPLEPREP_SUMMARY            	mL of deionized water and 10 µL of 1.0 M hydrochloric acid was added to the
SP:SAMPLEPREP_SUMMARY            	sample, and further extracted SCFAs by adding 0.2 mL of methyl-tert butyl ether
SP:SAMPLEPREP_SUMMARY            	(MTBE). The MTBE phase was collected after vortex and centrifugation for gas
SP:SAMPLEPREP_SUMMARY            	chromatography–mass spectrometry (GC–MS) analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Selected Ion Monitoring (SIM) was applied to measure the short-chain fatty acid
CH:CHROMATOGRAPHY_SUMMARY        	in feces. The m/z values at 60 (acetic acid, butyric acid, and isovaleric acid),
CH:CHROMATOGRAPHY_SUMMARY        	73 (isobutyric acid), and 74 (propionic acid) was applied.
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Agilent 7890B
CH:COLUMN_NAME                   	Agilent DB-FFAP (30m × 0.25mm, 0.25um)
CH:SOLVENT_A                     	NA
CH:SOLVENT_B                     	NA
CH:FLOW_GRADIENT                 	NA
CH:FLOW_RATE                     	NA
CH:COLUMN_TEMPERATURE            	an initial GC oven temperature was 40°C, held for 2 min, increased by 40°C/min
CH:COLUMN_TEMPERATURE            	to 200°C. The post-run time was 6 min at 240°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Agilent 7000B
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Selected Ion Monitoring (SIM) was applied to measure the short-chain fatty acid
MS:MS_COMMENTS                   	levels. The m/z values at 60 (acetic acid, butyric acid, valeric acid, and
MS:MS_COMMENTS                   	isovaleric acid), 63 (acetic acid-d4 which used as internal standard), 73
MS:MS_COMMENTS                   	(isobutyric acid), and 74 (propionic acid) was applied.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	uM
MS_METABOLITE_DATA_START
Samples	NEC01_D1	PRE24_D1	PRE02_D1	PRE29_D1	PRE03_D1	NEC03_D28	NEC03_D56	PRE09_D1	PRE10_D1	PRE13_D1	PRE05_D56	PRE13_D56	PRE09_D28	PRE05_D28	NEC03_D1	NEC04_D1	PRE27_D1	NEC05_D28	PRE21_D28	NEC06_D28	NEC01_D28	PRE24_D28	PRE26_D1	PRE27_D28	PRE26_D28	NEC05_D56	PRE27_D56	PRE26_D56	PRE03_D28	PRE02_D28	PRE29_D28	PRE21_D1	PRE31_D1	PRE32_D1	PRE38_D1	PRE30_D28	PRE32_D28	PRE39_D1	PRE44_D1	PRE38_D28	PRE39_D28	PRE31_D56	PRE32_D56	PRE44_D28	PRE38_D56	PRE39_D56	PRE44_D56
Factors	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:No	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:No	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:1day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:No	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:1day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:No	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:28day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:No	Sample source:Feces | Group:56day | Antibiotics:Yes	Sample source:Feces | Group:56day | Antibiotics:Yes
FA2:0	37006.3	5281.9	1260.9	1698.8	1343.6	4092.8	114148.8	1165.6	802.3	1648.6	98366.6	228935.4	265105.1	52312	1457.2		1281.7	2835.2	21220.2	20901.6	37672	44238.2	3021.3	219124.1	58980.3	30996.5	29374.8	181641.8	59015.9	722200.1	154064.8	3548.4	3069.7	1199.9	3227	8497.7	45487.6	1922.4	1058.9	23953.4	21036.5	151320	342645.4	47097	149096.6	22197	200774.1
FA3:0	2106.3	568.8	445.4	274.9	226.7	1354.8	582.9	130.2	109.9	72.3	7115.7	96809.1	178870.4	2973	266.5		311.7	450.6	308.5	173.7	336.6	393.4	117.2	514.9	33684.9	404.4	348.4	78304.8	40321.7	133274.8	7597	265.3	202.2	69.6	694.1	4777.8	801.3	254.3	113.8	12519.6	357.1	3045.8	14274.5	342.5	6301.9	205.4	2003.5
FA4:0-iso	955.7	176.9	81.4	75.3	24.9	114.9	137.9	7.5	25.4	25.9	170.3	14105.8	688.8	46.7					113.3	2	75.7	264.3		132.8		208.1		17545.9	121.5	897.8	112.4	3.6				588.3	754.9	3.9			26.5	326.6	19262.3	129.2	9.8	0.4	61
FA5:0-iso	1482.7	394.2	209	152.9	51.3	502.8	282.6	77.4	67.9	45.9	115.2	59659.2	164.5	168.9	43.5		50.8	71.4	99.8	32.5	77	32.7	32.3	51404.3	119.3	70.4	18286.8	51153.9	101.2	611.7	632.9	32.8	26.7	12.2	29.4	30489.2	1286.3	39.7	33.1	63.1	43.3	30.8	108204.8	276.5	16.3	21.7	1.8
FA4:0	1884.2	292.8	160	125.5	124.8	270.4	313.2	48.2	48	56.3	225.6	10778.6	837.2	122	38.3		41.9	69.6	252	91.5	217.9	1136.6	33.8	526.9	45	910.3	31.8	15298.6	2207.3	3213	568	35.4	25	35.6	28	9512.7	1409.9	24.7	49.1	500.3	97.9	911.9	20987.3	498.4	58.1	48.4	91.4
FA5:0	1892.1	441.1	233.5	150.2	139.8	698.8	226	62.8	69.4	63.3	184.5	3417	332.2	174.5	34.5		29.4	134.2	96.8	41.9	80.7	41.5	33.9	127.7	90.8	64.1	90.1	3442.2	84.1	1014.1	154.4	32.1	19.9	22.8	18.4	103.7	113.6	15.2	20.6	46.8	35.1	57.4	810.8	40.2	325.7	30.4	39.6
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name
FA2:0
FA3:0
FA4:0-iso
FA5:0-iso
FA4:0
FA5:0
METABOLITES_END
#END