#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