#METABOLOMICS WORKBENCH Kkim_20240923_225008 DATATRACK_ID:5216 STUDY_ID:ST003527 ANALYSIS_ID:AN005794 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_TYPE None (Direct infusion) CH:INSTRUMENT_NAME Waters Acquity CH:COLUMN_NAME NA (FIA mode) CH:SOLVENT_A 100% water; 0.2% formic acid CH:SOLVENT_B 95% acetonitrile/5% water; 0.2% formic acid CH:FLOW_GRADIENT 100% B, 0-3min CH:FLOW_RATE 0.03mL/min (0-1.6min), 0.2mL/min (1.6-2.8min), Back to 0.03mL/min (2.8-3.0min) CH:COLUMN_TEMPERATURE NA #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex Triple Quad 5500+ MS:INSTRUMENT_TYPE Triple quadrupole MS:MS_TYPE ESI MS:ION_MODE UNSPECIFIED MS:MS_COMMENTS Samples were analyzed with four methods employing LC separation or flow MS:MS_COMMENTS injection analysis (FIA). LC1 used ionization in positive mode and scheduled MRM MS:MS_COMMENTS detection (125 transitions). LC2 used ionization in negative mode and scheduled MS:MS_COMMENTS MRM detection (69 transitions). Both FIA methods used ionization in positive MS:MS_COMMENTS mode and MRM detection (165 and 382 transitions). Data were analyzed employing MS:MS_COMMENTS the Biocrates MetIDQ software. #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 TG(14:0_32:2) 138 129 413 3243 203 16202 265 588 4195 209 35330 1025 783 1002 146 179 440 135 211 TG(14:0_34:0) 212 267 2949 580 18584 330 985 4070 15178 674 776 773 316 382 TG(14:0_34:1) 315 479 173 503 280 1241 374 381 258 179 220 144 147 16120 153 146 279 1691 173014 1447 5234 299 389 21157 215 496 639 146918 203 349 269 3492 204 536 3534 4420 1404 159 2007 834 153 TG(14:0_34:2) 290 327 1098 251 240 247 295 11062 1208 64637 738 3015 15526 316 267 96634 227 271 2620 370 2472 3140 699 1079 192 514 TG(14:0_34:3) 244 2334 208 9943 164 529 2714 22966 466 560 781 146 520 109 TG(14:0_35:1) 772 6082 339 611 2664 213 TG(14:0_35:2) 138 131 243 146 137 1056 145 6186 121 798 216 963 166 3908 155 137 237 134 245 246 208 176 TG(14:0_36:1) 212 515 3830 929 47248 334 977 195 3940 203 21448 652 807 979 305 310 224 TG(14:0_36:2) 245 206 320 211 1410 354 233 221 374 14223 2044 169276 988 3844 280 372 15861 909 510 108952 219 2807 344 2908 4413 1066 1630 663 TG(14:0_36:3) 215 146 94.8 118 99.9 1769 265 87.5 82.9 80.9 195 14779 1229 82982 774 3221 189 135 19934 90.8 580 327 102112 166 109 103 121 3171 197 3309 4734 854 71.3 1241 150 624 TG(14:0_36:4) 74.1 40.4 41.8 60.6 28 935 92.3 57.3 55.8 44.7 69.5 37.6 5963 36.7 583 18258 260 1133 74.4 39.6 8663 35.3 258 125 41654 72.4 35.3 56.3 37.2 34.6 1425 37.1 116 1458 2180 373 43.3 876 69 173 TG(14:0_38:4) 97.9 18.6 60.8 118 56.9 37.7 61.6 48.2 1395 26.4 31.5 543 9407 118 571 69.1 55.1 1858 25.2 49.5 75.2 8156 46.3 29.9 34.6 63.8 25.6 358 90.1 311 578 121 19.2 223 52.6 62 TG(14:0_38:5) 72.1 68.9 55.3 147 49.2 60.2 46.3 42.5 90 1851 555 8387 175 634 47.6 51.3 2126 65.9 107 7949 73.7 46 359 97.8 484 588 175 329 97 TG(14:0_39:3) 7.6 4.5 10.8 4.1 15 13 35.9 10.9 11.6 4.4 4.9 29.8 4.6 4.6 4.3 4.8 4.2 5.7 6 TG(16:0_28:1) 125 384 1627 699 17406 135 329 1957 19932 524 341 494 153 145 218 TG(16:0_28:2) 222 593 329 3494 80.1 984 5769 198 103 169 68.2 67.3 TG(16:0_30:2) 796 141 5570 434 23198 288 829 8856 294 168 45374 107 1611 109 1279 1324 379 501 129 145 TG(16:0_32:0) 1372 2331 1177 1854 1422 943 1235 1143 1087 754 11950 1100 1059 6884 28177 1540 8102 1263 1476 14341 1141 799 22502 670 1153 975 713 2465 866 1708 4348 2841 2407 840 1383 803 TG(16:0_32:1) 594 1354 769 2195 1053 1317 509 430 528 482 699 18692 432 364 4720 198550 1535 6974 521 1481 22625 822 771 160643 285 789 581 514 351 3797 526 1404 4506 4895 1874 440 2355 730 TG(16:0_32:2) 419 386 654 714 393 9072 1850 52793 609 2494 14222 392 71190 2219 2232 2378 689 827 412 TG(16:0_32:3) 204 1287 249 6867 114 403 2039 14019 95.2 335 415 467 134 400 TG(16:0_33:1) 620 939 440 905 455 331 330 552 287 538 219 327 370 2330 312 172 1527 20125 316 4318 398 874 2320 241 315 614 210 8708 284 362 290 336 490 372 561 240 594 523 616 667 421 478 476 302 TG(16:0_33:2) 231 315 288 300 266 174 228 159 207 1065 556 5518 1690 258 1336 186 1453 214 3936 153 169 194 203 158 330 246 388 310 403 301 210 226 189 TG(16:0_34:0) 2228 2039 8762 10384 26567 4191 1674 8357 1422 6677 1396 1446 2389 1857 TG(16:0_34:1) 5715 4519 4159 9986 4992 6054 3036 4350 2742 3501 2807 72759 1792 1699 35840 785718 4857 37966 5188 6300 82103 1811 6385 397377 1619 5396 4243 12165 2769 6685 17884 16867 12926 4932 3272 TG(16:0_34:2) 1861 1871 1804 3561 1509 3309 948 1344 970 1061 897 32202 700 16542 214604 1929 13176 2371 1801 45262 657 1864 191108 1555 1163 6273 2273 8234 8091 3971 2029 1272 TG(16:0_34:3) 460 334 285 530 292 751 212 234 168 223 246 8042 141 3279 43206 444 2728 511 238 9742 149 496 62084 170 298 276 1540 608 1963 2351 976 1135 314 TG(16:0_34:4) 88.4 59.5 65.5 140 78.5 60.7 52.5 54.2 1099 52.6 588 5416 75.5 362 115 1366 49 64.5 8105 56.2 65.4 86.8 297 124 322 355 105 315 48.8 TG(16:0_35:1) 440 597 292 781 498 307 249 279 387 309 438 213 2737 319 322 3380 26943 327 1665 318 863 2095 660 269 6524 267 403 364 389 285 399 206 431 783 563 636 314 418 297 213 TG(16:0_35:2) 377 467 420 495 509 511 390 273 169 309 447 178 3521 191 1879 28353 301 4746 322 520 3240 223 1967 830 10694 250 450 298 278 666 370 887 801 1147 451 455 176 TG(16:0_35:3) 107 140 120 109 138 202 136 81.9 83 164 1709 624 6735 108 2372 105 130 1920 92.9 112 239 5431 115 71.7 431 136 505 458 464 234 234 TG(16:0_36:2) 3593 3509 3123 6929 3257 9557 2650 3852 1994 2198 1944 90244 1579 43531 1127573 5202 34367 7602 4147 80967 2237 4768 411238 3623 2773 12593 3667 19077 21377 10232 5891 2826 TG(16:0_36:3) 2458 1879 1467 2014 1412 8999 2004 1500 1300 1125 1384 394 64638 662 24786 458404 3079 20809 5191 1520 84534 724 1393 2642 317295 544 515 1377 1682 12314 2876 14145 18077 6637 365 3757 800 1696 TG(16:0_36:4) 1181 787 859 856 444 5231 752 790 677 737 548 21680 207 450 10248 101524 1079 6639 2120 756 36290 243 502 1095 134006 269 743 226 1136 212 4739 215 1403 5961 7489 2361 217 2397 320 711 TG(16:0_36:5) 179 89.6 137 179 74 1201 112 124 102 144 106 49.8 4098 100 1607 10955 163 1146 305 132 6034 48.7 115 276 28122 64.3 132 49.1 142 65.7 921 311 1291 1334 402 672 82.9 126 TG(16:0_36:6) 145 105 81.1 73.1 222 111 78.7 95.1 88.3 93.7 834 119 806 2840 186 499 118 73.8 913 69.9 212 125 4556 99.6 82.6 114 66.3 232 183 404 562 198 350 238 TG(16:0_37:3) 86.4 84.6 69.3 63.8 58.2 417 52.6 80.7 64.3 74.3 47.1 418 46.4 1094 2774 88.1 626 168 67.4 419 66.7 76.7 1408 57.3 79.3 46.2 110 92.5 351 117 108 68.8 TG(16:0_38:1) 441 524 514 457 2156 2646 12800 1322 448 441 1755 453 3727 425 530 TG(16:0_38:2) 427 354 441 540 1090 327 2874 4024 36189 2080 768 433 3689 519 12530 520 450 680 707 1085 698 TG(16:0_38:3) 713 548 315 520 244 1041 126 294 363 206 178 3353 127 4594 33531 315 2539 1201 409 5331 109 390 96.9 19325 286 353 118 721 581 761 1623 639 324 166 TG(16:0_38:4) 1167 649 656 1124 419 645 158 936 714 888 183 4811 179 446 10092 41807 345 3208 1373 975 7056 95 135 390 23557 115 732 120 1026 921 98.6 1218 1086 2656 791 576 211 TG(16:0_38:5) 1283 755 596 903 414 532 142 791 613 826 299 5284 149 555 11335 31760 462 2797 1463 935 6751 96.7 547 19678 713 150 931 1093 128 1511 1646 2713 822 792 241 TG(16:0_38:6) 1901 666 897 1158 378 431 991 598 768 3889 612 7407 14576 428 1952 1195 722 3927 500 11526 831 1179 752 2294 1387 1899 533 543 283 TG(16:0_38:7) 404 364 247 986 2251 3786 712 360 1088 282 2583 243 443 546 534 467 318 TG(16:0_40:6) 1454 538 540 719 372 348 709 475 715 2539 403 6012 19124 353 2313 990 643 2708 461 10548 657 784 575 1429 1012 1638 599 442 255 TG(16:0_40:7) 2704 851 796 1092 476 465 1132 537 861 3063 269 901 5919 18623 374 2298 1343 846 3317 259 425 11553 1129 312 998 727 2487 1449 1920 729 649 283 TG(16:0_40:8) 1484 380 561 656 400 420 665 400 523 184 1708 218 487 4581 6280 263 1072 945 621 2171 226 4983 545 881 465 1562 1029 1117 394 387 TG(16:1_28:0) 154 116 186 132 1279 159 8633 190 1223 143 14217 146 306 278 329 140 118 239 172 TG(16:1_30:1) 1814 470 14179 436 1535 17741 499 462 556 345 TG(16:1_32:0) 517 642 830 613 2557 1706 26101 1188 514 2632 19696 442 655 809 967 576 TG(16:1_32:1) 481 619 1164 689 3537 2495 34562 936 553 554 3044 34282 589 865 435 810 1360 608 597 540 429 559 TG(16:1_32:2) 1611 688 7345 422 1655 12392 360 484 567 435 TG(16:1_33:1) 329 591 363 191 185 193 208 299 399 287 461 183 178 424 3406 386 393 292 314 192 1796 274 285 310 287 222 374 305 386 434 218 TG(16:1_34:0) 381 268 504 264 276 285 1347 1409 16051 243 380 410 1215 269 7103 306 317 418 634 309 TG(16:1_34:1) 900 1204 1250 2940 1321 1085 673 1251 510 10653 640 7399 148797 1005 3960 899 1799 9461 672 866 91298 886 517 1812 1191 2418 2920 1260 1039 567 TG(16:1_34:2) 690 633 1436 692 7058 5443 46903 1971 786 6930 51006 1416 633 1610 2260 632 620 TG(16:1_34:3) 1522 876 6461 378 1219 11155 447 TG(16:1_36:1) 490 523 1231 473 411 2446 3154 31779 882 501 838 1760 11468 444 453 515 415 659 450 TG(16:1_36:2) 520 758 849 2128 894 820 457 583 292 312 278 9069 306 377 6791 129931 431 2649 1059 1371 5967 575 39029 694 430 348 971 395 754 1586 2732 1033 317 742 680 TG(16:1_36:3) 345 256 280 481 321 838 257 205 199 149 308 7794 3490 48120 390 1862 742 360 7042 182 368 35627 213 204 1039 446 1468 2574 929 516 152 484 TG(16:1_36:4) 125 84.4 61.9 152 69.5 497 109 84.5 83.4 63.1 3257 102 1533 10424 134 717 291 180 3166 147 14887 104 105 509 174 672 987 357 266 191 TG(16:1_36:5) 39.6 33 58.1 140 30.8 30.7 19 26.7 27.3 674 311 1429 46.3 149 58 35.7 695 20.5 58.6 19.5 3961 35.9 31.5 24.5 20.6 23.7 118 67.7 113 249 98.4 120 28.5 57.4 19.1 TG(16:1_38:3) 83.7 96.8 128 108 92.3 66.2 72.4 630 707 4264 55.3 323 177 110 685 75.2 56 3103 97 59.1 144 94.9 85.3 342 138 82.5 55.3 TG(16:1_38:4) 145 135 81.9 308 89.6 89.8 121 80.2 58.7 805 64.8 1136 4342 56.2 340 146 192 736 74.6 2823 134 121 105 53.5 203 119 293 140 69.1 69.7 TG(16:1_38:5) 168 47.4 124 224 67.3 75.6 41 48 26.5 76.6 64.5 33.7 798 51.7 48.1 1462 4031 76 352 253 217 757 30.5 40.7 52.1 2806 24.9 40.9 77.8 34.7 69.1 38.6 39.7 120 43 255 243 441 125 43.6 175 54.5 64.9 38.7 TG(17:0_32:1) 726 323 8065 304 286 678 289 3164 TG(17:0_34:1) 393 254 322 514 315 304 334 237 239 226 150 219 1952 200 124 277 1588 25879 202 808 232 568 1555 153 265 393 6070 140 169 456 131 216 167 263 170 288 606 470 387 265 249 168 204 TG(17:0_34:2) 215 193 301 212 223 201 1173 781 10023 198 551 207 290 1331 4572 214 282 243 406 346 192 TG(17:0_34:3) 64.2 76.4 365 125 1597 134 284 1060 109 91.8 117 101 TG(17:0_36:3) 178 99.5 113 108 110 241 118 69.1 76.2 102 1589 93.6 1193 10612 118 538 331 140 1462 121 129 4299 136 138 320 168 393 499 224 93.9 89.6 97.7 TG(17:0_36:4) 68.7 63.3 49.3 57.4 147 47.1 80.9 37.5 43.2 48.1 567 44.3 591 2460 58 207 128 74.8 737 42.2 58.7 1775 44.8 60.9 106 75.2 200 184 106 54.8 37.5 43.3 TG(17:1_32:1) 315 262 683 304 5168 300 623 2720 322 260 TG(17:1_34:1) 372 283 443 275 261 1596 1066 20661 1559 336 401 1568 333 6694 263 341 283 510 483 342 281 320 339 TG(17:1_34:2) 203 312 205 1013 592 6245 752 1022 203 3830 247 334 371 321 TG(17:1_34:3) 241 1026 260 1164 TG(17:1_36:3) 122 247 119 108 1312 756 7583 108 701 235 1322 139 197 3139 121 206 100 326 340 335 106 177 TG(17:1_36:4) 68.1 73.8 62.9 80.1 126 62.7 47.5 60.6 54.3 527 47.8 580 1644 77.2 309 55.8 97.8 615 61 59.1 1397 57.9 112 60 132 228 147 70.5 72.5 TG(17:1_36:5) 46.2 45.9 109 186 280 103 151 369 47.8 46.4 86.4 57.5 TG(17:1_38:5) 13.7 8.7 15.4 8.4 6.9 12.2 8.5 6.2 31.3 8.5 80.4 102 8 23.6 15.3 10.9 21.9 11 11 49.1 8.5 10.6 6.2 6.7 6.8 13.5 16 9.8 8.7 8.2 TG(17:1_38:6) 31 43.9 19.2 17.4 36.2 32.7 15.5 15.6 20.9 15.8 63.9 188 179 20.3 80.2 37.7 44.3 69.3 24 21.4 106 13.3 20 15.3 18.6 31.2 44.6 81.9 24.3 13 23.2 19 TG(17:1_38:7) 58.8 78.3 57.6 93.3 TG(17:2_34:2) 38.9 31.5 51.8 71.5 78.5 33.5 251 212 678 307 46 235 44.9 145 95.3 699 32.3 35.6 76.8 30.6 73.5 83.4 112 72.7 66.4 43.4 33.5 TG(17:2_34:3) 331 478 TG(17:2_36:2) 84.4 145 218 156 159 439 330 2112 69.2 474 73.2 334 123 367 266 642 145 96.7 142 124 275 217 108 216 TG(17:2_36:3) 46.2 72.1 70.9 55.1 67.6 228 152 489 24.9 175 31.1 182 47.9 96.9 97.5 20.5 347 48.7 20.2 20.2 51.4 78.2 88.7 105 65.1 33.5 100 35.9 TG(17:2_36:4) 47.3 70.6 46 47.1 137 46.1 48.7 44.8 161 192 145 436 43.6 49.1 410 956 57.7 158 99.1 63.4 309 86.2 93.5 158 765 64.8 68.6 69.3 76.4 66.5 107 135 146 129 73.8 183 53.5 46 TG(17:2_38:5) 109 238 497 1008 169 134 181 331 183 168 TG(17:2_38:6) 83.2 51.6 65.3 96.4 162 62.9 78.1 186 126 137 189 60.2 47.5 425 371 158 75.6 138 53.4 46.2 165 368 64.3 46.4 53.1 92.8 98.7 81.4 140 84.8 50.3 237 TG(17:2_38:7) 72.7 116 69.2 132 191 133 142 287 124 31.3 167 125 75.4 128 43.3 195 80.8 30.4 29.9 53.5 79.9 48 118 85.7 83.5 176 TG(18:0_30:0) 2928 832 11953 909 2957 364 8003 596 782 782 380 TG(18:0_30:1) 553 3078 592 41693 363 505 3576 344 198 22321 613 652 891 278 252 TG(18:0_32:0) 698 619 835 765 627 498 702 805 617 4863 5806 7505 2044 782 699 4517 595 1011 4543 748 628 661 1393 897 1107 TG(18:0_32:1) 399 513 743 428 667 417 6865 3134 90932 723 1874 689 6338 454 42665 576 1135 557 1434 1820 712 589 TG(18:0_32:2) 180 325 503 201 3751 1229 26566 577 829 210 232 5075 682 185 559 23669 1922 189 177 802 186 1020 1438 359 330 316 406 TG(18:0_34:2) 946 1450 1264 1969 1039 2423 1022 1029 904 15549 474 17053 133915 1111 3989 3008 1600 18431 440 1083 73563 495 1198 771 2590 1286 3191 5206 1824 661 695 TG(18:0_34:3) 242 194 207 289 125 485 149 156 112 88.4 76.8 2726 90.5 2209 17009 239 576 365 182 2978 148 189 17342 149 83.1 172 156 84 410 233 505 960 243 95.3 237 107 153 TG(18:0_36:1) 1784 2692 3013 1600 1744 2843 2735 1954 5565 32639 31388 2861 4152 2797 3699 2141 8096 1562 1826 2192 1982 1572 1991 3207 2036 TG(18:0_36:2) 6471 8590 34290 65764 826654 14129 11587 6564 23699 85501 7349 11937 7259 TG(18:0_36:3) 2516 2284 1348 1527 1137 2920 1672 1253 1325 16905 910 29395 174759 916 3985 7168 1715 18353 1408 1402 58861 1542 1305 2510 2256 3153 7545 1995 905 1011 1034 TG(18:0_36:4) 1306 894 686 612 542 1982 197 825 839 770 194 318 202 5711 224 433 12258 34654 266 1369 3002 955 8453 463 384 25577 184 297 691 175 989 1224 1188 1150 3413 879 619 400 239 268 TG(18:0_36:5) 192 111 149 142 70.4 523 126 90.3 126 68 73.9 1328 71.6 1715 4733 69.5 280 282 124 1507 101 191 6304 91.1 102 101 140 296 171 308 688 124 221 157 100 85.5 TG(18:0_38:6) 1593 797 643 722 357 171 94.8 916 749 851 89.9 91.8 139 1209 309 354 9320 6382 145 630 1610 713 1243 142 268 174 62.8 3137 78.2 65 751 192 872 63 314 119 1106 451 1186 322 130 168 178 99.4 62.4 TG(18:0_38:7) 94.3 104 96 102 195 1496 895 146 281 177 208 546 133 134 249 91.9 118 91 TG(18:1_26:0) 1355 204 98.1 118 5883 811 69610 451 683 141 7993 108 451 122 86252 127 99.8 1842 1092 1851 263 166 1070 138 191 TG(18:1_28:1) 948 174 156 3493 1072 34453 282 420 3727 290 32219 688 576 1011 298 172 435 143 143 TG(18:1_30:0) 649 693 2259 818 470 717 23830 2229 260301 1720 8249 550 31061 521 826 933 210162 5483 750 5924 6636 2471 3419 1015 TG(18:1_30:1) 253 387 3302 574 269 521 247 22294 1829 231455 1236 2912 264 23344 384 2500 728 165629 426 3955 4443 6004 1694 486 2226 362 699 TG(18:1_30:2) 79.3 93.6 2214 304 203 92.5 90.6 10256 494 56976 453 1133 97.9 15807 154 993 268 74.3 73621 219 105 2620 78.3 1942 2970 606 166 738 209 266 TG(18:1_31:0) 835 564 831 2800 562 635 1456 1189 2322 841 21029 553 3812 751 3026 1470 780 1123 864 8434 2515 926 632 1908 852 612 1437 639 1466 3029 730 2278 TG(18:1_32:0) 2446 2867 2166 3621 2133 3320 2367 2037 1766 2001 45124 14897 416206 3405 22833 2289 2870 49346 4586 239817 2785 1762 7547 3069 11944 8810 7692 4300 1781 TG(18:1_32:1) 1186 1538 1373 3570 1590 5242 1788 1400 435 924 1203 347 356 50382 675 135 619 12652 503439 3798 15190 1269 1988 54608 520 2042 2203 288 373131 517 179 1226 127 460 674 373 9070 564 1851 11138 15753 5099 442 6133 826 1983 142 TG(18:1_32:2) 380 339 848 331 2917 681 463 22865 3105 124604 1408 4874 402 446 29946 424 1837 830 505 153225 1152 411 449 360 4909 395 4687 7164 1878 1077 1876 377 835 TG(18:1_32:3) 684 3492 417 14215 213 741 4526 299 30467 300 776 856 1269 272 356 851 TG(18:1_33:0) 412 738 375 655 424 371 334 345 354 3337 1673 32604 344 2255 662 2654 537 2841 741 1038 8890 5086 354 707 568 300 491 1143 818 1546 1054 434 337 TG(18:1_33:1) 474 910 661 1458 648 835 744 420 398 442 856 618 575 6625 2096 55511 704 6488 388 958 5616 557 2832 1302 423 19591 2025 523 672 358 375 1083 810 1652 1593 1834 1064 923 971 494 TG(18:1_33:2) 208 288 234 607 324 215 259 409 373 2516 801 10615 195 1842 302 2042 341 1394 477 423 6553 3211 394 344 535 214 774 537 800 1576 267 592 198 TG(18:1_33:3) 35.7 109 39.4 114 75 33.2 102 325 310 636 137 1315 65.6 505 43.6 594 96.6 346 216 129 1543 606 203 34.2 115 99.6 42.7 166 121 214 450 142 439 51.8 TG(18:1_34:1) 5948 5503 4231 13922 5695 23472 8842 4591 2492 3771 6648 216173 2427 64374 1581931 13569 85501 8920 7409 200282 2470 4722 13754 860067 1966 4915 4122 2216 30080 2276 7338 44860 53322 27851 2657 16419 2837 4735 TG(18:1_34:2) 2908 2433 2331 5947 2884 14833 3845 2590 1131 1371 2537 831 511 104963 728 1016 34315 657485 4903 30817 5943 3298 138481 903 1646 5581 494668 867 790 2115 1454 618 19259 993 3380 21890 30307 11341 852 6303 1732 2665 TG(18:1_34:3) 547 407 361 1173 370 3538 776 274 288 574 238 19643 5027 106112 1072 5073 1100 323 23799 533 925 134152 299 239 313 354 3637 573 4421 7412 1966 332 2829 361 1007 TG(18:1_34:4) 88.7 54 57.7 42.2 429 105 50.5 40 55.7 54.1 56.4 2676 858 11121 209 621 164 68.3 2825 87.4 286 137 70.1 13479 196 49.3 62.5 63.4 69.1 494 96.1 620 1105 253 410 560 82.7 259 TG(18:1_35:2) 384 528 382 967 357 1434 507 339 232 254 508 245 5565 3268 47303 523 4176 617 576 4786 287 591 868 12577 639 232 424 309 218 880 442 1298 1517 1251 380 568 413 263 TG(18:1_35:3) 121 79.4 96.3 348 235 72.2 75.6 64.2 183 122 129 2167 740 8383 163 1749 145 120 2114 157 193 359 162 4847 653 88.2 97.7 75.3 139 368 72.1 517 607 597 571 267 290 110 TG(18:1_36:0) 967 1238 761 751 1112 2517 775 9133 15231 2669 1627 1326 2657 752 765 5203 842 758 856 1418 808 1420 920 787 1360 1292 783 TG(18:1_36:1) 44122 49440 922387 17372 27694 117063 12190 TG(18:1_36:2) 1669 1240 3005 8232 1936 51957 18123 644337 1777 17680 3671 1660 21532 2944 1797 98071 3904 6886 8147 3893 2040 1218 TG(18:1_36:3) 3030 2460 1494 2755 2272 17891 4210 1549 1675 1528 3126 110174 1047 40858 850860 3966 33390 9533 1815 111414 990 7120 4772 314457 1571 1502 15599 2530 19871 28523 12311 813 5799 2619 4441 TG(18:1_36:4) 1702 1074 631 1018 587 11739 1527 959 895 900 1303 398 453 43636 332 706 18863 238341 1528 10819 4381 1096 58119 513 2151 2304 146208 347 1146 394 1359 306 7606 300 1539 9175 14206 5096 625 3761 1162 1669 TG(18:1_36:5) 290 143 135 154 117 3439 313 156 131 190 297 8713 192 2854 25299 308 2183 547 205 12445 157 370 852 37268 168 173 182 1819 282 2018 3403 999 222 1258 296 283 TG(18:1_36:6) 148 124 122 605 127 80.5 156 111 122 137 1759 1016 7889 179 853 130 104 1859 81.3 138 166 6887 121 122 116 352 250 654 612 406 128 606 170 135 TG(18:1_38:5) 1258 649 496 873 415 762 383 533 475 765 296 84.3 53 8280 223 24.6 379 18726 50129 642 4398 2592 916 8506 191 404 770 65.5 22749 122 87.6 637 74.2 708 97.1 44.1 1388 145 1154 2341 3913 1369 213 1333 191 446 TG(18:1_38:6) 1698 494 477 805 330 665 238 794 518 618 306 221 502 5520 126 546 9616 23830 423 2634 1712 587 4570 103 231 617 69.4 13001 86.6 144 849 185 746 952 105 1899 2139 2877 1014 184 721 253 414 69.3 TG(18:1_38:7) 271 197 131 255 95.3 323 182 162 78.1 95.5 148 180 244 1405 79 120 2564 5372 206 862 503 222 1165 96.2 460 267 96.1 2555 110 163 177 191 100 95.3 226 102 405 809 583 464 192 375 205 110 TG(18:2_28:0) 1534 156 152 10414 453 46479 572 1398 16210 67.8 359 173 96714 114 2966 79.7 2404 2806 504 83.3 884 106 216 TG(18:2_30:0) 136 146 110 148 1632 228 205 13420 873 73887 739 3425 147 115 21360 375 341 111082 251 157 138 3521 210 3129 3496 901 122 1181 189 422 TG(18:2_30:1) 2434 273 254 12993 614 66183 553 1408 112 17486 138 1071 328 92989 171 103 2824 115 2351 3461 844 136 871 247 330 TG(18:2_31:0) 1835 3885 1536 3450 1762 TG(18:2_32:0) 787 712 668 721 395 2210 714 614 521 552 593 219 202 22228 202 371 6860 123155 1353 9103 1367 516 35295 330 566 1300 386 132641 773 300 733 164 704 188 4839 218 1279 6323 5893 2813 167 1389 324 895 TG(18:2_32:1) 459 344 378 517 311 3582 672 236 222 230 459 27895 3785 144387 1362 6204 605 263 38699 189 921 713 193156 358 428 326 5777 605 6027 8469 2229 1972 369 868 TG(18:2_32:2) 124 107 101 94.8 2035 257 212 11824 1033 28427 508 2042 201 19596 141 527 173 70996 318 95.8 123 124 2944 140 2694 3448 733 327 692 152 332 TG(18:2_33:0) 128 192 121 136 137 202 115 124 123 1980 916 9514 206 916 214 142 1948 145 942 185 463 4958 3091 183 128 108 200 291 128 504 480 493 593 122 130 146 TG(18:2_33:1) 168 194 134 209 145 508 255 104 138 143 187 302 277 3201 750 12625 221 2763 180 167 3509 151 674 370 191 9689 895 131 108 161 651 173 721 724 699 390 323 392 120 TG(18:2_33:2) 47.1 75.5 71.3 75.5 347 122 84.8 261 217 1038 268 2564 63.6 797 80.6 66.4 1456 103 399 159 338 3112 861 264 58 46.1 117 316 46.9 82.9 277 317 283 979 121 295 86.2 TG(18:2_34:0) 1148 914 845 711 545 1910 406 577 747 731 314 12954 297 440 11754 99129 819 3550 2248 742 16181 719 1068 67000 500 690 741 2532 896 2597 4317 1564 317 508 579 TG(18:2_34:1) 1866 1634 1337 1742 1430 13698 2600 1450 1070 980 1919 373 84036 338 993 21813 519040 4196 26256 4601 1287 128050 931 1664 4128 365 437374 847 1386 1220 338 16184 364 2434 19116 27806 9182 608 4535 1274 1949 TG(18:2_34:2) 1208 1043 934 1048 809 11202 1401 764 763 567 903 448 46062 453 12897 171299 1673 11583 3490 573 85659 732 1745 234579 441 639 324 936 10197 322 1271 10983 16581 4024 556 1806 794 1178 TG(18:2_34:3) 210 124 2590 303 131 226 136 9205 2114 21537 366 2160 537 13352 180 393 56406 171 138 127 1859 198 1987 3335 893 156 895 261 279 TG(18:2_34:4) 50.7 44.4 39.6 314 39.9 46.4 33.7 48.3 38.2 1498 478 2568 99.4 231 136 37.2 1819 165 95.2 6213 92.2 53.8 34.8 276 56.4 377 729 101 305 206 51.1 148 TG(18:2_35:1) 229 202 170 176 138 861 179 169 132 182 154 116 2854 1827 14341 228 1218 449 222 2688 283 291 7535 214 104 102 151 391 180 697 892 532 149 205 171 135 TG(18:2_35:2) 95.6 101 107 132 99.5 719 175 71.8 157 149 81 2394 81 989 8015 107 1339 287 106 2606 130 152 5164 150 83.9 65.9 481 107 443 706 465 112 193 219 78.2 TG(18:2_35:3) 37 43.6 25.4 28.6 351 105 17.7 32.5 22.8 104 47.4 80.3 1061 18.5 34 302 1963 88.6 738 127 33.7 1474 64.5 158 170 68.8 2391 203 77.7 38.2 19.5 34.4 40.4 169 25.3 57.4 248 292 342 175 121 159 45.2 24.9 TG(18:2_36:0) 432 642 406 1987 5064 10133 744 1353 2036 406 4676 937 TG(18:2_36:1) 1639 1946 1311 1216 886 4022 663 1048 1290 876 571 15558 23554 160292 1373 4852 5427 1245 19859 1021 1144 61392 618 1149 954 2467 1615 3466 6448 2026 789 878 915 TG(18:2_36:2) 2089 1669 1257 1541 915 10433 2135 1336 1120 1119 1507 55763 375 728 27426 478983 2156 17924 7376 1161 63420 637 3929 2673 177657 574 1258 385 1194 378 8828 1745 10664 16606 6023 479 2965 1591 2159 TG(18:2_36:3) 1230 1102 624 518 539 15593 1883 739 906 722 1502 456 475 49660 536 20613 210890 1639 12022 5893 547 81945 2703 2019 159876 706 745 9725 1193 10510 18198 5747 495 2034 1487 1677 TG(18:2_36:4) 899 635 525 438 15574 815 555 686 797 641 22981 657 12073 49231 708 4723 3762 453 45740 913 1194 75550 979 5303 818 5359 10100 2378 1576 623 596 TG(18:2_36:5) 192 136 106 85.2 4035 142 87.8 187 221 117 112 4547 140 1680 6777 163 1019 615 101 8809 132 187 314 19866 86.5 137 209 81.6 98.2 1105 165 1401 2051 490 84.8 521 154 167 TG(18:2_38:4) 701 601 359 369 333 722 127 532 566 341 169 52.4 99.7 3747 104 303 10020 14071 209 2052 1939 455 5601 76.4 173 11790 79.5 321 136 558 766 67.6 797 970 2248 500 266 73.6 222 TG(18:2_38:5) 437 277 205 267 143 537 84.7 249 241 150 133 42 3479 92.8 216 8521 10973 228 1505 1763 247 4586 69.5 101 261 9141 63.8 276 92.3 315 47.4 660 328 1223 2026 450 56.6 347 61.7 151 TG(18:2_38:6) 778 384 309 287 152 501 109 357 293 341 145 61.2 81.8 3136 86.3 240 6044 6580 305 1165 1310 293 3442 58.3 75.6 258 33.1 7201 52.3 50 238 82.5 406 551 40.2 724 1146 1906 443 77.9 363 85.3 190 TG(18:3_30:0) 349 59.6 1711 98.6 6433 104 370 2563 83.4 68.6 19468 503 59.4 400 610 114 504 62.8 TG(18:3_32:0) 98.2 137 436 107 95.7 95.9 2724 456 9917 159 868 4023 231 21899 104 117 604 187 687 837 297 547 139 TG(18:3_32:1) 63.4 65.7 55.5 752 76.7 36.1 43.3 62.8 45.6 3502 359 12870 168 763 56.5 43.3 5032 52.5 75.8 118 35861 56.2 40.1 49 39.8 831 88.1 828 1604 278 63.2 1036 80.2 TG(18:3_33:2) 13.8 10.3 17.1 4.3 13.1 42.4 10.2 6.3 6.8 8.3 13.4 37.5 27.2 86.2 6.7 14.9 16.8 124 11.1 47.7 3.4 9.3 155 7.1 47.5 58.9 21.8 322 62.2 16.5 5.8 6.2 17.3 4.3 26.5 25.2 10.8 5 20 39.7 25.3 67 35.5 29.4 10.2 9 TG(18:3_34:0) 424 1476 518 6700 440 1822 8487 271 429 558 253 TG(18:3_34:1) 300 230 137 231 2758 330 205 152 252 335 141 10863 146 1692 57283 558 3127 373 125 16218 272 734 91878 251 126 200 476 2552 340 2576 4703 1177 151 2205 208 283 TG(18:3_34:2) 156 93.5 98.8 145 1995 159 92.7 83.9 150 5564 954 15098 244 1326 248 9481 100 299 42167 134 92.4 1378 173 1521 2313 513 879 106 110 TG(18:3_34:3) 551 1293 275 2140 261 1729 10007 222 280 525 503 TG(18:3_35:2) 184 86.7 414 107 1146 278 475 1352 85.5 110 108 168 TG(18:3_36:1) 222 79.9 71.6 82.7 670 96 99.9 93.3 92.9 89.9 57.8 59.4 1878 65.4 1089 10699 88.7 603 226 2281 74.4 135 9645 57.9 137 49.6 182 44.3 285 115 349 712 200 296 45.4 40.5 TG(18:3_36:2) 239 159 120 2127 270 121 155 214 7467 1957 51508 266 2148 505 8484 382 427 33014 159 171 1322 190 1495 2477 905 136 1247 191 258 TG(18:3_36:3) 177 135 101 106 2992 294 125 123 148 284 109 105 6676 86.9 118 1332 17235 291 1452 403 10544 90 332 345 31521 137 95.9 227 93.9 99.3 1297 122 1676 2631 801 1002 152 269 TG(18:3_36:4) 168 181 2599 117 127 266 211 121 2978 105 734 4535 109 682 253 5347 172 300 15687 219 171 630 117 869 1558 325 157 806 143 TG(18:3_38:5) 140 105 133 127 460 376 963 254 601 1829 219 272 220 TG(18:3_38:6) 104 98.5 471 243 707 105 444 1509 92.2 226 182 176 TG(20:0_32:3) 117 65.9 278 123 1508 92.2 344 76.2 1326 235 66.3 95.9 82.8 TG(20:0_32:4) 58.1 66.4 35.3 248 91.9 750 51.6 54 377 39 1147 53.6 61.4 82.4 78.3 45.2 50.1 55.2 49.4 TG(20:0_34:1) 1935 2383 2156 1946 2136 2858 10979 3759 2153 TG(20:1_24:3) 37.2 26.6 25.1 24.6 21.7 22.9 29.4 15.6 24.6 52.9 54.9 51.5 17.3 51.4 18.4 39.1 30 24.9 15.5 34.5 58.4 35.3 60.6 21.6 168 59.8 23.9 15.1 16.1 25.5 17.2 20.2 17.9 42.1 80.6 28.4 67.8 38.5 37.3 80.2 15.1 TG(20:1_26:1) 50.6 36.3 49.3 72.5 135 38.8 61.6 36.7 142 42.3 36.4 36.5 35.9 43.7 TG(20:1_30:1) 262 509 125 4303 169 821 74.4 3224 161 104 117 260 78.2 85.5 87.2 TG(20:1_31:0) TG(20:1_32:1) 194 347 972 538 10547 472 1302 6383 188 347 172 TG(20:1_32:2) 61.3 206 502 125 2702 187 928 62.7 60.5 2820 93.1 107 109 138 91.6 60.4 67 58.2 TG(20:1_32:3) 89.3 423 157 679 TG(20:1_34:0) 159 149 204 154 309 101 480 1380 2638 98.6 215 302 138 419 110 874 122 153 210 107 TG(20:1_34:1) 546 370 347 653 247 1297 228 349 231 231 2857 248 3640 45210 269 2070 756 344 3757 494 16194 523 260 517 659 601 1167 754 260 TG(20:1_34:2) 293 206 266 320 140 913 128 176 138 104 140 82 1931 118 1899 15140 141 1101 625 214 3243 92.9 266 9239 76.7 205 168 78.5 361 371 419 778 351 80 155 124 122 TG(20:1_34:3) 254 471 354 2530 268 831 2965 258 TG(20:2_32:0) 130 138 119 762 665 7165 157 1062 1298 4757 145 203 154 282 272 328 TG(20:2_32:1) 107 68.1 191 59.1 829 370 8841 87.9 609 1536 67.5 80 8249 87.4 67.8 281 62.1 203 443 153 109 TG(20:2_34:1) 300 167 154 222 551 157 237 113 216 3428 2234 42649 231 3219 413 118 5065 118 319 25093 202 194 608 320 760 1626 930 87.7 339 145 184 TG(20:2_34:2) 114 125 89 273 1523 1258 10859 98.7 1285 232 101 3076 211 10506 92.7 423 123 481 712 340 111 TG(20:2_34:3) 217 685 402 2561 338 1023 3826 154 160 205 306 203 TG(20:2_34:4) 9.8 9.1 18.8 13.9 30.5 26.5 106 16 9.2 50.6 31 116 9.9 9.9 15.3 12.9 12.9 11 8.9 TG(20:2_36:5) 59 51.3 109 573 379 227 209 465 32 90.8 65.8 292 58.3 51.1 53.7 765 43.5 449 32.8 48.1 62.1 45.3 92.7 51.8 568 239 TG(20:3_32:0) 445 208 226 274 197 130 354 279 252 1405 124 2774 13065 235 968 310 257 2196 174 5984 87.5 244 237 258 395 481 665 288 198 98.4 TG(20:3_32:1) 92.7 92.7 75 193 83.7 160 33.9 104 39.4 67.7 56.9 41.6 26.7 1592 36.3 44.1 1091 12792 196 616 105 137 2307 42.3 119 8178 33.7 76.4 28.5 70.8 42.9 328 24.3 104 418 633 161 38.1 230 39.7 74 24 TG(20:3_32:2) 45.8 50.6 93.5 35.5 658 313 2389 168 238 94 906 91.4 39.3 235 2551 516 65.6 41.4 119 44.4 175 480 66.6 35.7 63.2 220 TG(20:3_34:0) 384 344 220 216 288 216 388 269 560 174 3114 6499 272 424 323 886 148 1781 236 242 275 195 345 173 TG(20:3_34:1) 1062 633 542 804 485 431 208 628 454 504 229 138 5435 137 339 9124 60445 611 3597 1367 841 8450 131 107 538 26378 113 660 114 465 1124 906 1381 2707 1016 643 99.9 324 TG(20:3_34:2) 401 216 224 339 185 306 103 219 253 140 69 2902 147 4290 15293 202 1501 818 251 4540 65 162 10958 69.7 198 217 580 432 760 1383 376 260 55.6 126 TG(20:3_34:3) 165 841 1105 3180 347 1169 3651 135 200 192 295 400 189 TG(20:3_36:3) 314 239 185 178 177 331 259 353 183 188 3255 171 7852 11906 227 1235 1395 258 4008 92 218 6899 212 311 495 391 762 1348 371 94.6 262 84.5 249 TG(20:3_36:4) 328 113 127 107 70.4 182 45.7 150 214 149 63.9 1040 49.3 163 3383 2824 69.5 436 582 136 1757 41.2 71.6 2815 83.4 179 220 247 309 652 132 157 90.2 TG(20:3_36:5) 23.5 16.3 20.7 14 23.8 17.1 24.5 70.4 37.2 95 275 213 37.2 42.3 15.5 197 34.1 327 48.1 16.3 43.3 24.7 36.5 28 71.4 24.1 53.8 33.4 22.9 14.2 TG(20:4_30:0) 166 65.2 97.9 108 31.2 186 56 118 87.6 101 69.5 16.9 25.5 2555 28.7 77 1490 13963 381 861 52.8 151 2527 54.1 60.1 160 18.7 9700 37 33.9 176 34.2 164 29 25.8 519 29.6 317 834 684 218 31.8 522 40.8 103 23.2 TG(20:4_32:0) 1887 856 950 1284 513 208 183 1277 1107 1218 215 4223 307 649 13304 25913 540 2475 851 1501 3930 103 119 638 12866 99.3 1159 134 1806 99 785 160 2142 1586 1764 634 562 176 TG(20:4_32:1) 404 210 209 452 161 278 132 284 217 206 139 17.5 4413 97.4 276 3947 23028 524 1291 273 453 3785 75.1 99.3 289 37.4 13250 101 24.4 357 48.4 375 60.4 12.8 739 45.8 613 1151 1476 427 29.5 866 14.6 167 TG(20:4_32:2) 140 73 60.6 135 30.2 158 47.2 91.5 74.8 71.1 42 1799 72.1 1127 4940 198 484 147 93.3 1940 32.9 175 120 45.9 4917 129 95.9 113 30.6 330 31.2 131 542 706 156 41 293 29 170 TG(20:4_33:2) 64.7 118 52.2 71 86.8 72.8 62.8 57.5 39.8 189 406 428 192 51.2 118 179 49.6 361 50.5 55.9 53.8 41.7 50.9 79.9 111 114 56.1 39.8 TG(20:4_34:0) 2475 1426 1233 1200 730 334 1550 1421 1480 2063 435 1006 17556 14604 246 886 1439 2113 1617 108 351 4725 1405 242 2506 253 220 2186 568 1319 198 200 108 TG(20:4_34:1) 3216 1771 1363 2247 996 907 432 2143 1786 2071 798 74 13374 519 1688 31613 89146 1312 5817 2616 2990 11797 242 137 1638 35892 85.3 56.1 2495 325 2835 198 2430 246 3611 4076 6146 1871 1898 173 519 TG(20:4_34:2) 2045 1155 1081 1276 549 784 247 1135 1214 1029 324 39.9 9100 268 1033 20526 29209 682 3274 2468 1455 9026 135 93 730 24 20530 93.6 28.2 1025 148 1569 104 1586 214 2048 2771 4612 1014 25.8 910 111 314 20.7 TG(20:4_34:3) 316 176 192 172 216 210 254 153 103 1850 208 3389 4366 183 591 357 226 1655 228 5620 198 335 317 434 691 866 269 492 TG(20:4_35:3) 70.1 44.4 197 331 245 82.3 65.6 91.9 237 45.7 53.3 61.8 60.2 53.8 43 TG(20:4_36:2) 3703 2481 1799 2312 1335 1070 402 2579 2291 2087 496 59.7 87.1 8659 681 27 1821 49281 45346 952 3799 5486 2706 6364 157 335 985 48.5 14117 68.1 65.9 2256 405 2438 175 44.2 1297 355 3236 2473 6399 1198 69.8 1061 224 587 45.5 TG(20:4_36:3) 1849 1078 802 802 474 722 310 1015 1004 775 355 76.5 6430 284 27.6 952 27531 18454 437 2361 3115 848 6505 127 199 746 10605 40.4 37.8 718 173 1233 74.9 989 144 1509 1954 4629 881 31.5 657 108 391 TG(20:4_36:4) 3148 1051 1056 974 732 825 167 1750 1479 1324 233 52 3353 507 1615 20866 5611 260 1117 2062 1495 3763 44.2 77.2 278 5485 43.2 1005 259 2250 166 38.5 488 293 2149 996 3129 429 574 62.8 128 TG(20:4_36:5) 280 84.9 121 131 70.5 189 50 131 123 91.6 51.7 17.3 734 72.7 172 3284 890 97.4 256 350 166 689 16.7 17 214 30 1450 23.7 87.4 52.5 168 16.2 175 266 274 657 99.1 205 23.3 30.5 16.5 TG(20:5_34:0) 104 106 98.1 130 100 83.7 113 839 2407 2351 78.8 188 242 107 513 242 1234 127 153 176 229 373 85.4 TG(20:5_34:1) 348 108 128 309 61.3 483 160 165 158 147 270 146 259 5163 87.2 128 16817 22910 493 3654 1235 156 4526 117 397 1076 12463 111 107 240 255 769 448 1764 1705 1432 469 114 335 TG(20:5_34:2) 133 150 170 472 116 207 194 147 3286 9897 6063 245 1527 1146 2791 305 578 6336 139 141 541 262 1308 1397 649 112 253 109 198 TG(20:5_36:2) 360 237 163 247 108 548 212 232 148 158 202 775 1555 3654 90.6 157 21862 11121 290 2504 2022 191 2001 174 1243 641 3857 105 327 177 92.3 195 402 386 1185 1712 777 162 328 296 266 TG(20:5_36:3) 202 151 196 167 478 178 139 151 187 200 221 344 2857 139 15824 4791 282 1422 1613 119 2359 1083 552 3012 156 217 324 216 1118 1403 616 177 152 227 TG(22:0_32:4) 35.1 26 49.3 57.2 165 49.3 58.9 40 123 30.1 35.7 39.9 53.6 TG(22:1_32:5) 32 34.8 28.5 28.2 58.8 46.4 23.7 96.9 25.5 52.6 12.2 39.1 128 12.9 14.9 19.1 26.5 18.9 35.9 TG(22:2_32:4) 33.6 13 12.8 9.2 46 18.9 78.6 20.3 9.9 77.7 13.9 154 13.9 11.4 11.5 10.9 10.7 11.1 13.3 TG(22:3_30:2) 8 12.8 9.9 30.7 13.3 8.5 47.8 10.3 7.9 10.3 TG(22:4_32:0) 215 149 55.5 101 83.5 121 61.4 114 65.7 67.2 406 59.8 90 1062 3412 88.7 726 110 470 99.4 1885 109 101 79.4 241 213 184 83.3 66.2 TG(22:4_32:2) 59.8 148 208 839 55.5 191 38 242 113 54.1 54.6 1041 288 72 36 95.7 135 35.3 100 37.5 40.3 TG(22:4_34:2) 364 144 115 137 63.2 109 55.5 54.9 66.5 123 52.2 54.8 65.3 739 25.8 92.3 1596 3981 52.8 947 123 147 886 41.3 34 74.3 26.6 3030 43.7 46.9 62.5 89.2 37.5 217 309 275 392 196 41.5 141 126 82.5 23.3 TG(22:5_32:0) 956 309 445 229 293 389 232 214 1059 253 2514 8352 257 1301 300 220 1193 305 5432 363 261 367 610 816 676 685 284 TG(22:5_32:1) 331 112 115 199 58 234 67.1 149 73.2 157 125 73 58.9 1791 29.7 106 1613 9153 179 1116 267 115 1532 94.9 161 7608 80.9 23 150 56.9 142 29.8 71.8 311 92.9 322 802 629 195 77.4 476 76.1 112 33.9 TG(22:5_34:1) 1462 508 305 420 158 702 156 460 241 393 338 3425 425 5949 26686 483 3362 779 446 3512 150 460 14430 567 167 437 784 1037 1347 1639 787 745 347 187 TG(22:5_34:2) 712 199 219 292 63 486 93.2 289 166 196 76.5 114 110 1867 69.7 168 2999 9308 215 1690 535 145 2266 88.3 222 7734 72.9 61.5 276 106 268 391 568 880 881 423 92.3 337 232 135 TG(22:5_34:3) 324 666 1125 294 430 1870 TG(22:6_32:0) 4343 1111 1392 2274 521 320 133 1775 801 1807 169 68.9 3274 225 1083 6184 16506 561 3156 953 1173 2980 107 87.5 381 12009 2067 242 1861 118 682 98.1 5383 1904 1627 676 85.4 626 70.9 377 TG(22:6_32:1) 1479 394 334 949 247 475 105 667 298 598 137 69.9 50.4 4560 79.6 410 3502 21470 530 2379 479 482 4289 93.5 233 272 73.9 16343 492 77.1 858 122 534 70 77.4 821 56.6 2617 2074 1926 647 69.6 1250 97.4 349 TG(22:6_34:1) 11466 2188 2531 4902 1413 1963 534 4325 1756 3534 659 13209 478 2865 20375 75699 1554 9645 4596 2873 12590 309 219 1458 43536 249 5228 700 3748 145 2622 218 12207 7237 6787 2311 151 2635 189 1116 TG(22:6_34:2) 4881 1107 1811 2402 801 1620 251 2145 1161 1846 478 51.2 75.7 8925 313 27.1 1667 13059 27289 825 5450 3845 1262 9510 170 150 732 62.3 24858 297 71.5 1856 377 2081 90.9 65.3 1900 119 6052 4479 4501 1467 96.6 1408 190 567 42.8 TG(22:6_34:3) 630 143 271 436 423 339 319 1947 291 2146 4037 217 947 542 142 1692 219 7401 339 456 434 824 969 1043 295 664 189 lysoPC a C14:0 507 254 297 763 439 646 592 167 410 253 185 278 1886 169 lysoPC a C16:0 593 2647 280 1014 1901 25867 9139 695 2131 1831 13809 17134 13204 12068 869 1648 29831 1137 3377 674 1129 4405 581 12890 2031 4386 1006 1995 1069 506 1132 221 9658 1287 948 1117 2665 2126 3004 1969 3510 349 7473 45768 507 6235 lysoPC a C16:1 33 57.6 276 261 59.6 35.8 258 355 207 896 38.2 561 57.2 86.3 198 68.4 54.2 37 35.7 221 41.2 68.2 55.9 51.6 61.1 45.4 115 973 42 76 lysoPC a C17:0 102 40.8 67.9 1307 225 77.2 65.2 524 357 402 261 40.5 47.6 413 49.1 46.2 42.2 105 36.4 199 30.4 140 40.9 47.3 65.3 40 64.6 132 57.3 39.1 56 76.1 54.8 130 56.6 158 40.6 101 872 165 lysoPC a C18:0 447 1610 228 402 986 42411 6009 283 1130 928 16692 8071 12921 5458 662 497 7292 733 436 453 899 1655 486 2957 618 6814 482 1169 1071 469 812 217 1428 885 896 910 1441 731 2732 957 4424 219 2012 22048 4307 lysoPC a C18:1 72.1 192 47.1 128 202 3466 3030 70.4 221 223 5247 6573 5467 1664 221 93.2 2263 422 85.4 137 107 348 92.4 1989 97.9 1282 199 358 145 65.4 189 42 765 183 104 130 495 140 389 175 804 72.6 396 15256 39.7 407 lysoPC a C18:2 63.9 63.4 42.4 75.1 493 587 83.7 58.4 837 2441 2007 697 106 299 115 61.7 101 70.1 499 267 47.1 148 53.1 60.3 120 62.1 48 181 47.2 75.4 78.3 254 73.6 95.2 7517 83.9 lysoPC a C20:3 109 85.5 157 115 327 85.4 194 lysoPC a C20:4 26.2 26.8 42.8 40.5 104 37.7 61.7 37.8 70.6 121 78.6 172 70.7 25.1 43 59.8 43.9 51 51.8 173 38.7 100 26.9 25 29.5 51.9 191 lysoPC a C24:0 45.2 33.7 112 42.9 29.2 53.9 67.9 50 204 38.5 82.2 38.3 36.1 32.1 34 41.8 52.3 31.7 34.9 49.7 39.5 34 39.5 179 lysoPC a C26:0 97.2 210 121 146 86.1 113 938 109 89 79.8 55.9 84.3 93.5 65.2 71.6 64.5 107 58.8 224 lysoPC a C26:1 169 84.4 147 90.6 100 863 159 89.5 45.3 94.2 118 71.5 174 157 64.7 50 54.5 67.9 47 84 118 86.7 92.8 94.1 179 67.4 45.8 lysoPC a C28:0 151 143 434 132 228 lysoPC a C28:1 33.2 35.1 41.8 31.8 75.1 85 59.9 131 42.1 37.2 42.2 24 32.3 38.7 37.3 40.8 28.7 38.2 25 30.1 37 206 PC aa C24:0 104 59.5 PC aa C26:0 1054 PC aa C28:1 297 30 264 131 84.5 26.2 63.4 99.3 707 121 101 166 274 35 310 43.6 154 283 87.2 21.6 281 143 132 120 35.7 101 261 52.9 287 41.4 40.2 130 1114 PC aa C30:0 204 4403 119 329 3271 2393 773 328 567 1207 2237 1827 1715 2182 1454 551 3851 885 420 210 324 2408 245 3108 194 927 523 3505 637 862 1296 637 3743 1620 312 376 1331 606 662 386 1173 609 4750 230 313 PC aa C30:2 0.6 0.8 0.6 2.1 2.7 5 10 0.8 0.7 0.6 1.1 0.9 3 PC aa C32:0 485 7367 172 624 28467 3491 1846 496 931 2029 3434 3720 2874 8795 7886 1506 12646 3247 3288 584 805 7928 386 6640 186 1989 352 12558 248 240 1727 369 35924 1201 737 887 2027 1314 2143 940 3649 40.6 2625 7373 636 966 PC aa C32:1 30.3 259 33.3 174 1042 402 216 65.9 150 151 177 356 391 418 324 93.8 825 114 34.4 31.8 39.2 708 14.4 566 41.8 80.6 167 94.4 45.4 2331 59.7 23.2 213 269 84 140 278 94.1 728 171 47.8 PC aa C32:2 9.2 24.2 9.1 25.6 24.4 22.7 42.5 58.9 69.7 45.2 8.4 36.5 8.6 16.7 117 15.5 21.8 8.1 71.9 14 7.5 14.1 12.6 34 99.8 11.1 PC aa C32:3 7.4 7.4 7.2 16.9 15.6 18.3 17.4 8.8 17.3 12.7 6.4 37.6 PC aa C34:1 631 4497 535 1713 4566 3179 1107 707 1868 2850 5576 1999 2307 1716 2285 1053 6504 1006 178 465 547 5996 273 6804 303 2300 245 2597 772 500 3460 1332 9691 1685 602 388 3051 2816 852 3849 3569 664 6559 496 492 PC aa C34:2 378 736 161 479 805 797 299 165 546 523 1269 640 1243 799 487 175 1104 189 170 137 1433 2455 69.4 387 333 67.3 516 299 1789 317 62.7 62.5 713 489 141 1337 1202 107 1325 199 73.9 PC aa C34:3 32.1 29.3 38.4 79.5 50.6 24.8 143 115 139 121 110 31.4 66.5 234 83 38.8 28.6 84.9 29.7 27 29.1 74.7 107 39.8 258 36.2 PC aa C34:4 13.6 14.9 13.4 20.9 25.2 25.8 43.1 14.3 10 29.6 20.2 10.7 47.2 PC aa C36:0 600 350 208 223 291 311 451 295 316 253 210 332 261 295 231 233 338 537 PC aa C36:1 903 4339 440 1094 2921 3390 1308 643 1390 2751 7081 1391 1460 2974 1838 1140 2718 1018 112 388 407 3460 423 4510 119 3839 336 4356 1875 1337 3812 1530 2809 2240 1397 448 2723 1938 1063 1633 4103 44.7 332 9417 111 301 PC aa C36:2 240 1252 161 419 1059 2594 373 224 582 786 1957 644 1835 1502 854 254 1153 231 169 248 1353 1889 789 567 209 134 991 524 1373 750 119 110 998 533 233 1567 2024 112 1762 89.2 111 PC aa C36:3 90.7 326 77.2 191 313 863 233 74.1 196 220 966 548 1176 592 184 72.2 397 176 15.4 111 49.4 484 34.9 1353 40.2 482 22.7 199 32.6 27 246 142 728 132 29.4 54.7 259 186 138 508 934 19.1 114 957 47.7 49.7 PC aa C36:4 108 283 142 414 356 828 132 129 307 367 586 321 656 621 214 154 335 119 86.5 973 766 352 116 578 193 2097 116 51.4 258 357 122 428 602 82.7 609 53.9 43.1 PC aa C36:5 12.5 36.9 27.8 29.9 202 63.3 14 27.2 144 58.9 106 170 25.1 85.2 33.1 20.8 43.9 109 14.4 102 31 62.2 27.9 74.4 18.6 28.3 38.5 150 151 50.2 178 39.1 PC aa C36:6 24 80.7 19 50.2 40.6 30.9 19.1 42 49 23.5 29.4 66.9 24 17.2 48.9 50.1 57.5 70.9 37.8 23.2 39.6 22.6 43.6 17.9 40.2 41 21.3 52 23.7 28.6 16.7 44.5 17 67.2 17.8 PC aa C38:0 135 763 36.6 108 470 134 116 110 172 254 199 169 150 168 185 118 193 103 45.5 35 389 54.9 199 68.4 170 50 201 77.7 139 358 131 282 374 56.4 30.7 318 206 83.7 86.7 173 390 PC aa C38:1 76.3 21.9 59.6 17.6 131 60.2 102 123 61.6 345 22.1 57.1 82 30.6 52.5 24.4 59.8 29.9 51.1 160 47.4 92 27.7 121 37.4 20.3 52.7 50.8 PC aa C38:3 115 1267 81 162 1140 1662 204 119 313 577 1200 251 568 351 926 246 1009 204 81.5 58.6 859 38.5 825 494 32.4 491 232 75.5 596 326 581 999 102 76 1003 314 173 300 739 61.8 836 48.8 PC aa C38:4 241 626 191 509 546 2663 139 181 431 624 654 209 698 340 430 223 378 125 75.4 1021 428 438 183 932 224 1649 311 59.4 378 519 99.3 426 578 45.1 392 PC aa C38:5 32.8 76.4 31.6 56.4 104 714 98.4 25.1 49.9 69.3 371 151 348 144 60.4 24.4 90 62.7 43.4 111 288 241 71.7 148 51.6 341 38.8 25.9 47.1 60.3 88.9 176 291 35.9 321 PC aa C38:6 71.5 281 42.1 109 238 353 155 54.5 84.3 187 338 164 275 210 126 62 204 98.3 52.5 33.3 302 37.3 292 33.8 337 70.8 130 52.9 65 203 110 388 152 36.8 48.4 183 154 123 127 472 82 375 38.5 61 PC aa C40:1 PC aa C40:2 19.7 31.3 14 16.8 50.5 12.6 12.3 26.2 17.5 32 29.9 16.1 30.7 13.5 18.5 22.5 16.5 14.2 18.9 30.9 47.1 12.1 16.3 14.5 23.3 26 51.1 PC aa C40:3 21.4 102 9.4 21.2 57.5 83.1 21 14 16.6 45.3 84.8 22.3 33.8 28.2 50.6 15.5 85.1 20.9 11.7 55.5 51.2 9.3 35.3 83.4 23.3 14.3 47.2 26.8 48.3 66.2 10.3 49.6 19.5 21.4 26 60.3 10.6 9.6 74.9 PC aa C40:4 89.4 33 60.6 133 29.2 36.1 43.8 31.3 84.4 46.8 44.5 26 55.7 28.7 68.1 40 31 29.2 65.6 24.7 111 43.4 43.5 44.6 29.1 38.1 52.1 PC aa C40:5 19.2 21.3 150 58.9 32.1 85.6 63 24 43.2 30.6 32.9 29.3 71.9 21.3 29.8 63.8 59.4 PC aa C40:6 145 452 67 150 342 612 150 102 144 294 296 147 266 136 182 119 208 137 80.6 58 392 60.3 270 315 66.3 204 101 95.3 330 150 396 272 70.1 64.4 234 224 121 110 427 67 292 PC aa C42:0 35.7 30.6 30 33.4 44.9 30.8 34.1 30.3 40.1 31.6 PC aa C42:1 24.8 56.8 28.4 52.7 33.4 37.7 23 95 32.8 46.5 32 53.2 25.3 65.8 74.8 48.6 43.1 37.5 32.4 PC aa C42:2 PC aa C42:4 23.7 16.6 14.9 14.5 14.1 17.5 19.8 21.6 26.9 40.2 17 17.9 PC aa C42:5 9.1 17.3 11.5 11.7 28.5 26.1 9.1 8.8 8.8 22 23.8 58.1 19.5 20.3 24 15.5 26.8 13.2 21.9 31.5 57 17.1 31.9 16.3 56.6 35.3 11.9 31.6 14.9 9.5 12 11.3 16 8.5 17.7 50.9 8.5 36.5 10 PC aa C42:6 PC ae C30:0 150 87.9 133 53.7 72.2 116 113 122 241 81 294 80.4 105 99.2 53.5 118 82.4 67 119 97.6 79.8 64.6 67.3 284 51.6 PC ae C30:1 179 40.1 66.1 85.9 48.6 37.5 105 182 126 75.4 115 49.1 135 48 29.3 168 149 32.4 38.7 102 55.9 231 64.9 85.1 53.6 35 40.9 85.7 39.4 154 50.3 PC ae C30:2 11.7 11.2 13.5 11.5 16.8 13.6 9.9 10 10.6 10 11.8 9.4 35.9 PC ae C32:1 35.5 877 12.9 73.8 607 143 61.5 26.3 140 303 117 149 95.4 43.6 470 137 639 61.7 21 27.9 33.9 625 21.1 148 34.2 55.3 27.9 121 23.5 159 21.6 1336 207 28.2 29.7 564 182 88.2 104 100 7.8 64.9 202 22.7 73.7 PC ae C32:2 53 11.9 48.3 19.1 12.1 14.6 24 28.4 24.2 21.8 10.1 42.6 11.2 40.8 8.9 40.7 26.2 11.5 13.9 21.5 16.3 9.3 80.5 26.1 48.2 19.1 8.7 18.6 13.9 55.8 7.5 PC ae C34:0 66.3 438 26.5 59.9 605 228 101 33.5 124 185 203 230 199 353 254 95.2 926 159 81.1 48.6 65.8 360 41.1 265 55 104 51.7 265 49.3 55 239 46.3 751 132 54.5 56.9 148 111 158 116 193 15.2 79.5 423 26.5 69.8 PC ae C34:1 74.3 724 40.5 144 546 574 265 78.9 237 361 553 390 383 480 323 146 2252 240 66.7 123 135 669 72.5 551 93 244 84.4 267 97.6 63.3 357 114 907 322 60.8 71.4 340 207 362 519 331 26.3 120 792 52.3 108 PC ae C34:2 21.2 271 18.1 44.6 154 132 60.5 22 69.9 123 184 127 154 137 131 29.2 370 76 57.3 33.3 148 23.5 253 27.5 47.6 17.6 89.2 15.8 21.6 97.9 57.7 224 108 17.1 134 71.2 65.7 410 142 26.8 217 24 13.1 PC ae C34:3 11.7 44.1 9 32.1 36 11.1 16.5 17.3 48.8 32.8 49 56.7 23.9 41.1 32.1 19.4 10.9 25.1 94.5 12.8 36.5 18.1 17.3 55.4 20.9 29.4 12.7 18 204 51.1 45.5 PC ae C36:0 59.5 288 75.6 201 136 50.6 38.2 114 137 116 249 222 160 158 73.9 225 50.3 246 131 61.5 67.2 46.2 383 169 47.1 232 139 45.7 201 104 56.1 48.1 77.4 777 PC ae C36:1 93.4 469 60.7 140 345 287 131 87.6 205 351 566 341 330 343 228 157 726 137 58.1 70.8 472 61.2 389 35 160 48.3 201 139 330 455 184 379 258 95.2 42.7 272 207 142 325 231 39.8 2405 33.4 50 PC ae C36:2 26.6 228 52.4 122 165 69.9 29 66.9 92.1 211 136 181 304 91.5 34.7 458 115 66.8 37.8 125 33 246 26.6 54.2 89.1 33.7 160 68.4 161 63.2 71.3 55 90.1 407 172 459 32.1 PC ae C36:3 149 20.3 56.5 99.2 46.9 36.5 31.6 150 101 132 199 44.6 162 95.3 55.4 56.8 21 181 20.8 37.6 29.4 80.4 67.6 30.4 93.1 24.4 37.5 18.7 61.6 311 128 17.5 176 PC ae C36:4 28.1 384 23.3 51.2 101 236 47.3 29.5 75.7 91.8 137 80 116 255 84 42.2 177 120 49.2 183 28.9 130 60.8 92.7 122 40.1 278 83.8 20.2 87.2 54.7 88 165 102 26.7 176 14 PC ae C36:5 18.3 105 26.4 61.9 207 31.2 14.9 43.9 60.3 82.9 46.1 80.5 94.7 54.1 22 70.4 62.9 26 102 14 74.9 14.1 33.7 50.6 11.2 88.5 48.9 267 42.5 14.6 74.1 34.8 53.8 180 61.4 21.8 113 PC ae C38:0 130 462 125 280 175 161 212 220 216 185 127 205 135 217 321 198 159 160 251 286 133 232 237 225 153 163 558 PC ae C38:1 17.3 86 13.6 16.4 23.8 284 42.2 16.5 25.3 18.4 15.3 13.6 26 120 16.9 PC ae C38:2 34.9 20.5 26.3 20.8 114 39.1 31.3 55.5 46.4 69 111 261 27.6 29.2 24 32.4 86 27.9 31.2 61.7 24.4 45.8 21.4 45.7 125 55 88.8 PC ae C38:3 21.1 104 18.4 57.3 107 24.4 29.5 32.1 69.3 51.8 56 86.4 47.3 22.4 121 38.4 26.9 61 17.8 65.5 31.5 30 16.4 58.9 21.1 69.2 39.7 49.7 21.6 40.5 88.4 51.6 125 PC ae C38:4 427 88.2 137 217 61.7 117 123 115 85.6 105 173 104 90.3 205 196 68 182 61.2 123 67.1 120 254 75.5 294 81.3 95.6 90.7 126 194 118 174 PC ae C38:5 46.3 269 73.5 113 285 91.9 97.2 99.7 185 119 160 429 123 59.3 208 202 87.7 176 49.6 135 101 140 270 111 316 78.8 101 72.6 193 320 136 52.9 222 PC ae C38:6 68.6 62.6 160 59.2 28.2 52.4 121 42.7 76.6 303 56 24.6 107 74.9 41.6 86.1 86.7 50.3 19.7 79.5 60.4 24 177 35.3 47.7 44.2 62 121 87.1 21.6 125 PC ae C40:1 6.4 8.1 4.9 14.9 5.6 4.3 13.8 10.8 8.5 10.7 10.8 7.3 7.1 78 5.3 4.1 5.6 14.6 12.2 8.6 8.7 5 5.6 19.6 12.2 11.6 12.2 24 9.4 18.8 PC ae C40:2 42.9 220 53.6 163 113 67.9 40.9 75.4 156 414 77.4 84.3 113 139 74.9 426 51.1 23.5 24.8 202 20.7 182 32.3 99.1 22.5 114 105 63 182 105 118 196 42.5 18.9 151 85.8 61.1 119 135 19.4 451 20.1 PC ae C40:3 15.8 63.3 15.5 39.7 77.4 21.7 22.7 29.9 62.4 24.7 32.2 84.4 37.2 18.2 148 15.7 44.4 48.2 19.4 24.3 17.5 51.4 18.9 42.9 31.4 36.8 25.2 23.5 54.5 36.6 71.3 PC ae C40:4 87.1 40.4 43 111 37.4 54.7 44.8 40.9 57.1 103 50.4 105 67.4 57.7 54.6 39.6 128 89.9 58 44.5 88.1 74.2 PC ae C40:5 53.7 21 39.4 90.4 24.9 20.3 35.4 52.1 33.4 42.3 104 30.6 22 90.7 119 21.9 42.7 27.3 51.7 26.8 93.9 61.8 19 70.9 20.4 14.4 27.7 27.4 40.7 62 50.8 83.5 PC ae C40:6 33.9 146 38.2 70.8 121 57 34.4 79.3 68.2 54.7 66.1 155 59.7 38 143 111 28.7 123 36.6 60.6 60.6 32.1 107 33.5 103 46.6 131 79.5 74.1 50.1 64 61.2 53.8 108 31.6 PC ae C42:0 PC ae C42:1 38.7 73.2 37.9 53.2 54.7 57.6 35.8 38.5 32.9 105 57.7 55.3 84.2 43 52.4 38.7 43.9 52 54.6 PC ae C42:2 31.4 45.9 45.1 26.8 61.7 182 51.1 51.2 32.9 25.6 30.9 98.9 30.2 51.2 PC ae C42:3 29.2 44.1 37 34.6 35.2 121 53.2 31.1 30.7 63.8 28.6 64 PC ae C42:4 PC ae C42:5 PC ae C44:3 33.1 32.7 PC ae C44:4 83 PC ae C44:5 46.7 76.1 58.8 46.4 51.7 PC ae C44:6 Hex2Cer(d18:1/14:0) 285 244 234 242 155 390 321 102 258 228 223 619 394 449 149 114 3558 491 274 835 402 254 620 210 679 411 409 350 467 747 247 116 255 119 207 123 228 303 530 394 284 782 231 375 58.6 142 Hex2Cer(d18:1/16:0) 5915 3245 1084 1387 700 3190 3497 856 928 1230 1375 10527 5836 3621 1155 942 140778 3764 4352 3790 15130 1439 1166 1412 28571 2100 4320 1286 7142 11575 1626 479 1903 972 1528 356 1424 1608 15234 11792 1084 13335 668 6312 600 1493 Hex2Cer(d18:1/18:0) 1138 1121 1195 1244 439 1063 1500 586 731 1040 1332 2801 1542 1638 414 466 5923 1707 795 2906 1104 1167 2435 1045 1386 1779 4695 1161 1990 2602 1255 454 989 449 1199 499 826 1265 1191 1570 1669 2878 789 1576 545 683 Hex2Cer(d18:1/20:0) 681 496 632 548 214 540 1637 344 395 467 1536 2246 1195 1417 180 215 2173 1316 397 3202 485 465 1909 786 566 1504 5483 854 1832 2135 572 150 510 232 1503 369 361 654 624 926 1610 2714 524 1514 270 585 Hex2Cer(d18:1/22:0) 1423 799 757 660 287 2171 2434 411 438 539 2226 17733 9038 3545 340 281 9260 1623 753 3191 1244 581 1357 1435 2435 1920 9061 1107 3610 14961 921 206 808 269 2795 521 507 869 1453 2046 1827 21429 832 8783 463 1175 Hex2Cer(d18:1/24:0) 1462 1067 738 685 406 1936 2575 601 455 638 2267 14155 6655 4163 389 271 10413 2570 1023 6050 1072 712 2068 1625 3210 2287 8696 1599 5179 12426 822 236 958 443 3405 837 606 883 2162 2915 1880 16501 1188 6920 656 1572 Hex2Cer(d18:1/24:1) 4164 1805 899 960 409 1876 2307 782 606 903 1633 2771 1754 2690 446 637 103768 2546 3573 3210 10231 886 1171 1318 19090 2074 5172 1227 4803 4292 1442 495 1329 421 1572 506 792 1356 10056 10369 1351 3042 789 2534 470 1376 Hex2Cer(d18:1/26:0) 15.2 9.2 8.7 10.4 7.3 23.2 18.6 8.4 9.9 12.2 6.6 44.5 27.3 21 5.3 7.8 42.2 15.2 7.1 26.5 6.9 19.9 16.7 9.4 21.6 14.3 19 11.5 16 41.5 15.7 9.6 11.5 9.5 11.2 4.1 6.4 22.9 10.9 9.6 10 54.3 9.3 26.9 4.6 4.4 Hex2Cer(d18:1/26:1) 111 68.6 49.3 31.2 31.8 90.2 83.6 25 37.6 31.2 52.2 52 26.3 90.3 19.1 22.8 1532 80.3 59 199 166 53.6 130 40.2 392 91.3 89.5 49.5 82.7 72.4 55.4 13.8 64.6 29.2 40.1 25.9 37.3 52.5 137 219 43.7 67.3 34.3 88.3 21.1 22.3 Hex3Cer(d18:1/16:0) 2644 6503 1877 4435 3081 1349 1270 1705 3087 3539 745 715 485 1181 3621 2616 3189 1437 740 2226 536 4198 1672 768 1547 2105 1080 936 1921 1174 3928 756 3604 4575 1162 547 5476 4122 726 1146 1540 1260 998 656 964 1353 Hex3Cer(d18:1/18:0) 1198 1070 483 623 303 394 187 450 631 582 127 259 97 252 272 422 887 196 335 335 265 882 353 190 254 305 342 127 264 483 884 307 1158 575 306 189 733 599 206 447 360 420 238 94 451 216 Hex3Cer(d18:1/24:1) 1739 4039 1096 1837 1339 1292 744 1590 2040 1995 695 634 696 1094 1616 1590 3610 1101 833 1164 810 3177 1120 480 1079 1429 846 531 1587 957 2073 665 2167 2481 1062 356 2102 2833 941 1053 1083 1058 797 710 376 1176 Hex3Cer(d18:1/26:1) 192 382 78.8 146 126 364 130 116 154 162 56.5 201 156 171 119 104 385 164 253 303 198 289 238 129 266 278 241 103 359 360 172 83.2 194 130 183 67.5 143 183 214 128 216 438 133 123 90.4 59.9 Hex3Cer(d18:1_20:0) 120 187 63.4 103 84.8 196 94.4 61.4 95.2 106 58.5 77.3 63.3 71.5 43.9 70.1 159 68.5 58.8 120 46.7 141 149 55.1 82.4 131 125 47.1 169 120 121 51.3 113 101 133 50.6 98.4 128 70.2 88.6 112 214 69.3 56.4 45.5 72.7 Hex3Cer(d18:1_22:0) 621 935 563 881 561 331 299 590 647 620 278 258 125 311 312 416 647 425 192 387 152 917 508 226 493 451 427 208 551 409 616 312 607 516 470 164 738 1161 366 288 345 461 270 295 96.5 418 HexCer(d16:1/22:0) 133 90.8 60.2 70.2 40.1 251 170 53.4 118 92 167 1980 1444 1022 33.3 53.3 62.9 144 55.2 281 38.1 104 110 139 37.2 118 110 119 246 1646 114 47.6 97.9 60.9 170 29.3 134 124 78.4 66.2 123 2047 94.9 1380 25.5 63.7 HexCer(d16:1/24:0) 61.7 55 20.4 47.6 28.4 177 136 26.3 54.2 56.9 183 1366 964 747 27.9 2.4 22.7 69.8 204 52.3 500 26.3 62.8 174 117 23.1 123 117 204 302 1272 50.8 20 51.7 36.9 146 33.5 50.4 53.1 90.7 78.5 153 1562 129 966 14.8 53.8 HexCer(d18:1/14:0) 157 323 76 126 80.3 311 214 70.2 116 156 276 415 316 539 91.6 124 460 397 175 519 177 217 194 211 163 311 208 266 449 501 167 98.8 133 108 271 89.2 126 130 259 174 296 464 163 360 59.3 127 HexCer(d18:1/16:0) 6294 6243 3806 4732 1990 7211 2667 2925 3631 6164 1819 7715 5320 5452 2417 3555 11569 4163 2514 3829 4163 6468 964 1518 3669 2517 2090 1180 2487 6993 7001 2350 4512 2566 1540 542 3717 6152 4732 3213 1391 8060 1130 5533 584 954 HexCer(d18:1/18:0) 686 881 223 422 255 780 1259 355 528 774 987 1207 737 1298 362 360 900 1002 414 1252 332 879 493 977 240 1329 910 750 1375 1022 773 284 586 453 903 258 600 702 678 577 1604 1012 419 1291 107 720 HexCer(d18:1/18:1) 805 583 368 465 304 1293 711 317 704 785 394 639 549 952 380 476 1440 693 768 524 528 923 285 437 365 450 557 298 375 458 1103 394 673 408 356 154 522 682 815 510 512 586 276 352 199 233 HexCer(d18:1/20:0) 2837 2269 1871 1771 1025 2796 2251 1317 1854 2126 1888 1609 1323 2567 894 1347 1881 2707 948 3958 1113 2430 1440 1609 757 2467 1656 1842 2434 1581 2491 738 1871 1138 1942 688 1522 2835 1454 1521 2763 1323 1270 2414 291 1173 HexCer(d18:1/22:0) 14019 11829 9226 8788 4757 15889 13738 6373 7622 10517 9564 35836 23601 24990 3887 5441 11021 15262 5220 26206 4361 10352 10401 9085 6618 15442 9252 8300 14397 28315 12983 3786 8635 5275 10111 2953 8030 12933 8081 7284 12877 30636 6701 28676 1282 6548 HexCer(d18:1/23:0) 7102 5422 5334 5130 2527 10394 6211 3728 4950 5340 3932 30493 21087 15024 2314 3395 6138 4567 3396 6148 3314 6442 3941 4242 2850 4455 4295 3070 6208 25099 6784 2580 4485 2730 3892 1510 3704 7762 3864 3816 4288 28605 3476 20395 1253 2196 HexCer(d18:1/24:0) 3741 4907 1733 2936 2164 3707 7695 1939 2814 3923 6214 11281 7262 12017 1559 17.2 1659 4321 9425 2843 21853 1201 3830 8301 8455 1875 10840 6791 8203 14439 11084 4660 1559 3825 1970 8270 2557 2902 3819 4420 5184 12057 9649 4775 13139 696 4437 HexCer(d18:1/24:1) 23503 22244 14169 16042 12353 38254 27356 11341 15325 22282 22261 17682 13605 33712 10681 12537 57160 37753 24716 48444 20800 21648 17464 25599 23645 34665 20015 23406 40981 20266 31493 11805 20264 11492 20129 6971 14847 22963 31880 27259 30942 20107 15227 28308 3517 10940 HexCer(d18:1/26:0) 952 1261 352 723 685 808 1083 673 672 1170 440 565 442 1017 503 549 969 1248 566 2391 546 1313 1855 396 405 977 317 1101 527 363 1681 737 889 774 264 253 783 1166 508 663 856 644 534 489 85.6 137 HexCer(d18:1/26:1) 1538 1802 696 896 956 1027 1637 831 780 1473 950 692 623 1994 605 599 2032 1649 786 4199 585 1533 2653 947 1100 1756 896 1546 2060 851 1738 769 979 1121 810 447 1249 1357 991 1202 1751 690 1074 1416 383 469 HexCer(d18:2/16:0) 72.6 92.1 57.2 65.3 26.7 68.4 33.1 25 48.9 77.4 21.9 175 118 51.7 42.2 40.1 41 23.5 21.1 46.7 21.5 80.2 13.1 25.8 29.6 31.5 26.3 15.5 48.7 146 57.8 23.8 75.9 45.1 23.8 6.8 63.7 63.7 36.3 27.4 18.7 180 15.5 135 7.4 17.6 HexCer(d18:2/18:0) 62 69.6 35.7 50.2 20.5 43.3 109 28.6 47.3 46 131 42.5 28.4 65.9 36.4 27.3 28 53.3 34.9 107 12.8 85.5 23.4 94.8 20 89.3 77.4 52 194 68.9 58.6 24.3 48.1 40.9 102 20.7 41.8 53.3 78.5 38.6 99.7 46.6 21.3 113 15.7 47.1 HexCer(d18:2/20:0) 134 103 122 114 41.4 53.5 145 54.2 87.8 112 153 53.4 24.1 98 41.4 58.7 28.2 82.2 47.9 271 21.8 115 53.2 130 14.4 137 78.8 126 272 54.2 109 42.3 65.5 62.6 164 26.2 69.8 118 111 98.7 180 36.3 47.1 175 15.2 64.2 HexCer(d18:2/22:0) 1611 1855 1292 1453 454 804 1880 632 960 1246 1657 1245 832 1648 511 710 448 1623 877 4338 180 1535 873 1726 441 1624 973 1638 3249 1548 1326 516 919 847 2011 310 972 1744 1304 1197 2213 1050 857 2378 366 640 HexCer(d18:2/23:0) 379 569 436 549 79.2 260 305 212 395 501 320 542 436 626 132 226 131 208 151 607 69.8 488 214 302 80.7 368 149 271 571 575 398 155 281 261 334 80.2 309 527 317 209 296 491 181 592 48.9 124 HexCer(d18:2/24:0) 1870 1720 708 1157 451 1157 3283 513 965 1116 2954 1646 852 3973 510 744 602 3542 2390 11904 193 1570 2202 3754 185 3318 2062 4020 8012 2693 970 407 1153 814 4468 834 1255 1193 2419 2129 4639 953 2200 4146 250 1403 DG(14:0_14:0) 90.8 58.3 52.5 1678 905 48.6 1329 68.4 10882 47.7 25396 309 4560 48.7 5351 780 262 1017 62399 70.3 48.8 65.6 51.6 48.3 70.6 85 2180 106 81.9 3702 483 2470 53.4 5042 359 147 DG(14:0_18:1) 298 30079 29373 32747 692 2351 201387 820 497449 4198 105693 335 100631 13151 5261 38137 519911 520 413 354 27449 53819 7727 76138 461 59055 13363 1365 DG(14:0_18:2) 123 67 80.9 91.8 71.8 26409 19233 108 63.2 99.5 19740 1418 2752 140045 73.5 70.3 77.8 436 168097 2000 52785 111 82.6 85763 6852 3102 19509 693 339598 522 476 88.8 99.2 73.5 334 21010 72.6 171 36061 5039 39479 505 25416 9572 871 164 DG(14:0_20:0) 189 265 486 237 249 521 162 190 186 243 193 DG(14:1_18:1) 80.5 56.3 606 1282 61.2 1892 379 581 2904 56 107 6545 119 2486 77.8 1250 1413 126 1768 191 3433 301 76.8 85.2 518 66.1 915 178 2199 130 847 1111 79.3 56.6 DG(14:1_20:2) 293 312 229 125 172 136 533 230 368 246 421 278 428 338 329 459 527 376 2527 186 120 346 118 350 631 909 351 238 411 245 195 DG(16:0_16:0) 30333 63390 78362 218334 460208 13332 246905 141642 39012 129918 447210 40078 101985 215493 49300 14509 DG(16:0_16:1) 415 324 276 270 4682 12779 14226 967 1070 45878 1538 121856 1132 32780 432 22102 8698 3059 19562 1727 142300 3905 463 452 823 5310 266 13129 1613 32643 3331 11641 3468 487 DG(16:0_18:1) 1337 1236 788 76364 128145 844 130377 3357 3669 432167 8432 827886 8514 357539 1315 1585 243513 46786 6087 203698 642253 2168 828 1454 1145 61938 1170 143641 17621 338043 98688 43349 2816 DG(16:0_18:2) 498 473 290 68796 80827 373 72549 2549 3942 305209 4309 421052 3650 195873 673 472 213488 23042 3204 104888 501289 1364 331 297 297 810 46966 433 91994 10786 172517 377 43893 29101 1641 DG(16:0_20:0) 3523 2490 3347 941 1107 7991 628 23191 9061 4256 1717 10481 13587 563 466 1834 2645 448 6816 1370 2309 DG(16:0_20:3) 214 199 2266 3146 4879 222 228 19956 1332 49721 579 22893 257 13699 2271 198 9092 33572 212 2915 200 6453 1280 11168 202 5658 1196 263 DG(16:0_20:4) 234 188 2171 4153 287 6715 138 167 12079 130 1291 22313 419 9693 151 7556 4097 150 14897 147 16218 165 160 135 157 235 2885 239 5740 770 8269 5096 990 124 DG(16:1_18:0) 604 1248 1070 252 207 5031 420 13902 228 2927 2420 1113 1092 2397 424 8749 1609 246 135 261 503 1578 229 3910 964 925 497 108 DG(16:1_18:1) 7385 16406 18114 50356 2785 132826 28988 16652 5655 19072 77628 2176 5849 11861 30593 11279 4472 DG(16:1_18:2) 153 6473 11143 13794 358 533 39004 791 46120 431 16144 137 16031 3983 249 12044 246 60255 412 150 139 178 4244 156 9077 1350 19720 237 5377 3604 309 DG(16:1_20:0) 96 176 148 141 148 316 647 210 152 103 337 425 112 117 239 112 110 136 DG(17:0_17:1) 148 116 138 334 186 158 154 165 210 DG(17:0_18:1) 537 332 357 3522 13309 13093 1822 1031 30208 1446 83463 1330 36388 288 550 16143 7283 900 21236 1235 26807 4510 356 331 415 1121 4366 309 8440 2382 28036 387 5985 6607 459 393 DG(18:0_20:0) 56.6 33.3 43.4 26.3 34.3 188 36.2 502 171 82.9 24.6 118 183 25.4 55.2 93.5 31.3 33.4 32.6 DG(18:0_20:4) 351 292 143 167 94.3 1032 741 126 170 402 774 233 197 2724 122 154 1629 7383 341 3831 195 273 2261 1279 4654 1515 352 3194 357 371 198 97.4 261 167 401 87.3 570 1080 808 1109 700 893 296 159 DG(18:1_18:1) 461 271 180 237 35067 49057 204 40386 820 4771 169476 3778 340976 2113 139786 482 524 59109 10966 10202 58025 131724 373 455 269 14193 46445 4643 86277 316 32736 22263 905 DG(18:1_18:2) 773 497 196 341 107144 121373 215 566 112363 3246 19392 436833 334 199 7861 588530 4189 257339 1052 602 212133 27954 17868 124780 331 373759 1307 565 250 573 769 44174 246 503 105959 11866 211779 1495 55137 70557 2282 341 DG(18:1_18:3) 17287 10269 309 10509 536 1904 45467 411 46289 484 22275 22433 2890 1434 14738 63099 1347 332 403 5281 10300 1572 20181 639 21467 5468 332 DG(18:1_18:4) 107 84.2 546 374 85.4 604 166 298 1520 164 1274 345 1349 1597 551 228 1165 987 1395 3348 249 118 85.5 722 348 101 788 139 1374 544 788 514 99.7 155 DG(18:1_20:0) 441 9870 5906 5975 2019 2437 26014 1668 73503 698 25216 354 10704 2582 1460 15348 370 24381 666 363 2615 6677 1098 12272 636 3872 5431 412 DG(18:1_20:1) 23.2 24.9 423 1044 19.2 19.5 1533 233 122 3049 157 6885 145 5737 35.9 26.1 2676 587 212 5859 342 3139 1142 225 21.7 22.1 320 740 28.5 702 277 3703 214 922 648 69.4 222 DG(18:1_20:2) 126 1583 2935 3872 307 333 13573 553 29958 368 26844 9046 1692 266 6556 208 19729 458 145 111 2029 3840 659 12606 410 3348 1232 172 DG(18:1_20:3) 70.2 32.1 31.7 43.3 867 1296 32.4 34.3 58.2 1972 103 131 6781 43.7 723 15069 278 9071 79.1 78.1 4246 675 142 2559 57.8 6593 156 88 55.1 78.3 82.3 784 33.6 69.1 2228 459 3285 109 2165 579 260 DG(18:1_20:4) 207 120 102 94.9 1839 3887 142 6035 232 713 10747 136 106 1745 18648 476 8246 92.7 193 5018 2819 344 8587 261 7410 588 183 102 91.1 139 242 1529 109 142 4420 640 5041 397 4078 1278 112 DG(18:1_22:5) 34.2 71.9 119 328 23.4 731 13.2 414 156 43.6 202 373 12 52.6 144 20.6 289 10.1 111 38.8 DG(18:1_22:6) 743 565 1584 2571 3725 624 565 7627 921 14892 8081 3920 1564 5453 8121 1695 4991 557 5751 706 3318 1200 DG(18:2_18:2) 505 310 173 112013 66429 191 167 606 62297 1968 16510 262024 195 149 4698 167217 1864 99855 741 219 167712 13925 6811 55466 345 224621 991 291 150 157 202 536 30185 258 57922 7336 99424 612 20094 42155 1147 198 DG(18:2_18:3) 218 31644 11629 426 11817 780 3074 52565 437 21454 438 16882 211 31263 2928 1337 14926 234 71096 944 385 152 245 6658 146 12256 1693 19458 498 16872 6688 403 204 DG(18:2_18:4) 464 242 133 524 145 172 781 376 457 724 195 677 266 702 778 201 124 136 140 407 126 403 181 384 316 DG(18:2_20:0) 138 126 4377 2201 131 2106 926 1057 8492 411 11033 258 6079 142 117 5228 907 469 6152 180 8213 294 192 109 160 1034 138 2121 423 4224 454 1047 2420 209 DG(18:2_20:4) 195 102 67.8 84.6 2648 3005 122 5889 317 861 9097 115 75.5 1976 7418 360 5096 161 92.9 4933 2355 245 7122 239 7100 229 128 75.2 74.1 115 144 1633 118 139 3925 592 4467 185 2227 1250 81.5 77.5 DG(18:3_18:3) 191 158 245 128 3951 791 114 93.8 742 927 133 344 3926 158 198 1421 107 995 93.1 138 2235 331 154 1457 8079 205 120 159 105 243 168 135 546 262 1044 340 1453 219 5061 571 130 DG(18:3_20:2) 17 22.4 90.4 74.5 122 33.7 24.9 377 23.3 284 32.2 380 298 39.2 39.1 139 35.1 512 38 17.2 71.2 14.4 119 69.2 198 20.8 160 59.9 44.7 DG(21:0_22:6) 200 DG(22:1_22:2) 89.1 57.4 97 68.8 70.1 44.4 118 108 240 68.2 33.6 138 98.8 34.3 50.4 80.6 56.6 76 39.4 150 33.8 DG-O(14:0_18:2) 453 756 451 909 1514 2694 546 743 1591 363 1320 524 504 363 1889 850 791 510 DG-O(16:0_18:1) 327 887 939 131 2926 8328 1825 1099 482 1306 156 5151 703 130 133 207 399 150 935 202 2563 150 575 505 131 113 DG-O(16:0_20:4) 167 167 217 179 238 262 217 174 325 Cer(d18:0/18:0(OH)) 2644 3391 1962 1806 1952 50361 1345 2754 2305 9408 42905 35877 15832 1375 1238 10722 43186 41450 96109 3480 2537 71520 81608 168409 29426 92847 22287 98226 76276 2056 1875 2110 15413 5882 1908 1473 37210 1902 46136 170714 7477 38850 3584 4173 Cer(d18:0/18:0) 26.1 53.4 4.6 13.5 19.1 23.6 22.4 9.1 20.8 19.4 17.9 36.3 20.5 35.3 13.8 12.6 32.1 43.5 17.7 43.3 21.7 42.4 30.9 25.2 14.7 70.5 22.3 20.8 30.1 29.4 22.3 10.5 30.4 22.7 17 11 20.1 15 23.1 12.3 31.7 41.6 12.6 20.8 6.2 14 Cer(d18:0/20:0) 433 713 76 246 319 439 283 140 282 293 174 449 348 473 172 186 422 511 211 529 311 688 413 283 215 705 254 253 281 328 400 91.5 470 318 190 178 281 298 315 175 402 584 198 246 54.9 170 Cer(d18:0/22:0) 1808 5066 482 1269 2052 2351 1400 841 1317 1385 922 5523 3923 2549 991 675 2746 1996 998 2550 1208 3038 2476 1473 1990 3739 1681 1197 1919 4150 2140 596 2181 1671 1235 710 1434 1320 1787 931 2296 8018 957 1707 396 977 Cer(d18:0/24:0) 1134 5264 438 1332 3106 1100 1650 761 1158 1544 978 3819 2307 2423 873 641 2188 2294 850 3717 713 3273 3401 1674 2494 3435 1891 1502 2124 3098 1894 572 1473 1728 1197 579 1284 1092 1120 918 2103 5428 1048 1672 572 835 Cer(d18:0/24:1) 3283 7145 456 1565 1900 5507 1553 1317 1859 1952 2253 4719 3469 4475 1154 1712 7079 3739 3736 5744 3233 4305 4740 3718 3878 7528 2949 2962 4048 4644 2796 1244 3449 2352 1538 1504 1950 1916 4564 2717 3433 6407 1890 2335 499 883 Cer(d18:0/26:1(OH)) 546 589 1018 598 567 5400 3727 2230 730 626 549 843 676 900 3103 524 3671 3422 Cer(d18:0/26:1) 53.1 171 64 111 81 96.9 49 112 51.3 108 60.3 107 52.5 45.5 107 78.1 55.6 116 37.9 199 132 58 95.4 130 68 56.5 96.9 75.1 71.8 37.3 104 127 69 52.7 117 75.7 40.3 74.2 72 123 141 60 71.7 38.3 Cer(d16:1/18:0) 1513 2361 175 526 707 3543 2955 438 1135 1148 4010 7633 4434 7279 712 714 3937 6972 1689 9548 1109 2152 4235 4942 753 7749 1784 6163 7618 8534 1161 754 1405 1878 3185 1258 1985 807 3006 1221 6299 9360 1635 4595 175 754 Cer(d16:1/20:0) 4350 4597 604 2141 1652 4646 4234 1224 2584 3163 5746 6678 4117 10031 1114 2357 6306 10989 3240 16010 3890 5322 8389 7195 1392 10080 2722 10248 10607 9495 3509 1111 2910 3145 4885 2526 4030 3220 5320 2143 10542 8708 3534 6582 224 1402 Cer(d16:1/22:0) 8233 8237 1142 3765 2543 13681 13215 2648 4175 5843 14383 134798 86682 45388 1720 3504 11044 24841 6494 42700 5426 8139 23264 18981 3064 22975 8071 23916 29794 121194 5973 1994 4882 5077 13649 5325 6622 5462 8837 4681 25216 186347 8510 49900 612 3735 Cer(d16:1/23:0) 1496 1264 270 601 358 6082 3288 442 773 813 2442 94266 58941 19786 335 26.4 571 1584 1971 677 3787 820 1342 2520 3482 496 1878 2221 2065 6612 77751 969 340 766 656 2927 544 919 882 918 611 1942 126107 1011 26655 127 804 Cer(d16:1/24:0) 2207 2916 281 1018 765 6068 5812 623 1148 1331 5809 70454 42891 23764 677 805 2867 13974 3020 30282 900 2353 15369 8763 878 10315 3436 13824 14317 60903 1564 459 1540 1625 6356 2604 1859 1137 3315 2023 11549 94137 4458 23260 318 1672 Cer(d18:1/14:0) 975 4233 182 712 755 6836 3520 513 705 1152 6078 9392 6908 12115 1050 1044 4486 11155 5355 14303 1086 2344 4911 6943 2054 9157 2328 9370 7669 12304 1382 395 1639 1479 3384 1627 1644 1050 3859 4438 7649 10845 2439 6147 486 770 Cer(d18:1/16:0) 36262 84150 5367 21945 17884 57383 23064 13684 21922 36729 17478 63669 45731 49174 19859 28125 81045 41757 34616 64466 33703 61629 21612 21158 29991 40472 17346 19952 29578 61362 40644 12392 44272 29674 14393 8673 32814 30725 35725 22295 24061 85698 12311 27725 1964 5560 Cer(d18:1/18:0(OH)) 11606 10077 2914 3523 4675 11667 14269 2655 8701 7208 7476 9947 11053 21593 4664 3766 134779 18498 24295 20810 34468 11650 21663 11384 28727 20641 17109 9098 26376 13257 7366 3178 7871 5288 9258 5375 5494 5052 58696 6066 22913 53473 7189 9467 3670 3783 Cer(d18:1/18:0) 7681 13124 1273 3254 4150 20403 17679 2122 6578 5915 15590 15432 7690 23334 4387 3335 23353 31194 8304 37887 6217 10187 24856 20711 3813 47380 12188 19810 29905 14802 6578 5953 7976 6143 13913 5833 7332 3696 13392 6936 34528 13282 6313 14708 942 4675 Cer(d18:1/18:1) 1652 894 200 270 297 41384 4861 280 3440 1014 647 3572 1358 3618 711 285 18096 2384 10186 1772 6116 1239 2669 554 3272 4915 1517 622 2685 2118 725 4870 754 585 1237 1300 908 266 6542 12216 3621 3685 1699 729 1445 903 Cer(d18:1/20:0(OH)) 44397 49933 14260 18431 19623 87122 25904 13755 34498 27759 20666 24189 28254 59257 20760 19592 136762 65010 50974 84443 79242 43174 54884 31238 27480 66361 22315 39553 38143 31093 34949 22217 33461 23142 22306 19607 24291 28944 64547 33177 54259 33372 26128 17561 3971 9980 Cer(d18:1/20:0) 12759 13837 2619 6786 5908 13166 19038 4078 8294 9796 14364 12906 7977 25484 4279 6342 23937 39026 9618 51791 13728 15832 32980 21016 5423 43894 14411 23856 27670 13898 12628 3356 11580 5775 14426 8803 8084 9953 14732 8318 38255 12236 9299 16469 852 5422 Cer(d18:1/22:0) 32459 38576 7263 17034 15190 37652 54043 11390 17947 22250 38086 110322 69795 82879 9967 12679 62983 109539 26497 134770 26526 36225 111044 61927 18715 129938 42807 59792 83713 93830 30249 8607 28129 13631 45376 22011 20589 23894 31916 23240 110758 138558 26535 64511 3088 16366 Cer(d18:1/23:0) 17934 19803 5066 10457 8772 28013 18752 7446 12391 11914 13941 140822 89772 50117 5764 6980 31865 31250 10937 37721 13616 21781 37125 19533 9594 38600 16629 16721 31154 112289 17488 5469 15832 7131 16558 7435 10065 13501 13278 10330 29857 195587 9319 48960 1626 6506 Cer(d18:1/24:0) 29902 52441 5890 17067 17598 38429 68384 10033 18128 22017 53147 127462 72623 143469 10806 10175 55331 216151 37423 318152 17027 37377 256667 100966 19791 212249 58855 129429 148038 127453 27716 8359 31557 16558 72856 40079 21285 19675 38109 33694 190873 154263 51358 86013 5191 23052 Cer(d18:1/24:1) 64252 96543 9093 28436 25613 109266 77348 24756 29159 41569 101839 77610 58829 183179 20609 74 34417 204027 259898 101975 337096 79600 70390 237188 157543 52528 313060 66037 185242 203571 114132 52959 22967 67073 35316 74871 62605 44511 42577 96496 78103 239192 97561 66897 93700 5392 23047 Cer(d18:1/25:0) 17651 23737 7540 11529 8959 36173 14488 10123 17049 15666 10985 21771 23334 35139 8012 10854 48518 34489 25178 39607 35411 22981 29435 15137 16132 34330 12494 19733 23637 22976 19498 8533 19473 9807 10517 9252 10875 17741 23685 18888 25715 31083 14398 13119 2540 5589 Cer(d18:1/26:0) 4590 13803 1021 6058 6245 2663 4270 3119 4178 6184 1940 7028 4304 4781 2936 2859 4726 6935 1576 10773 2254 14288 7431 2433 3077 6380 2494 4037 5083 5562 9268 2522 7675 7367 2314 1408 6037 6595 1763 2707 4658 9713 2272 3247 816 882 Cer(d18:1/26:1) 1084 3331 241 912 939 1697 1738 588 687 1238 1710 1259 829 5112 598 530 4592 5459 1630 11199 1123 2285 8038 2494 1444 6089 1114 4088 3676 2234 1499 569 1522 1354 1251 1340 1159 975 1544 1649 4435 1617 1846 2603 256 465 Cer(d18:2/14:0) 25.1 68 9.7 17.8 22.4 130 58 12 19.4 25.9 117 157 79.5 129 38.3 17.9 88.7 122 93.1 219 18.3 35.2 94.8 103 45.5 221 37.4 114 169 221 21.2 16.3 34.1 32.8 56.1 28.3 52.3 25.4 85.4 79.6 124 183 62.1 107 12.1 17.9 Cer(d18:2/16:0) 1079 7718 212 827 1354 2839 1047 505 1030 1274 1171 2857 1948 2105 2522 1293 3397 1785 1375 4200 740 3244 1324 1524 875 3568 634 1396 2065 3293 1410 749 2462 2399 933 476 3804 1057 1957 751 1639 3884 654 1558 122 291 Cer(d18:2/18:0) 1524 5035 203 912 1251 2638 1968 604 1486 1447 2610 1741 955 3172 1784 1317 3019 4530 1539 6192 662 3262 3000 3383 541 7603 1181 3329 4710 2478 1533 1515 2300 2690 2159 889 3114 1268 2747 881 4218 2244 915 2104 83.3 510 Cer(d18:2/18:1) 275 257 44.7 86.7 165 3340 478 60 624 201 154 392 212 616 231 99.3 1917 627 834 536 539 318 396 137 343 760 233 173 452 348 129 1364 175 244 151 169 341 84 1143 1013 500 632 215 180 131 97.2 Cer(d18:2/20:0) 2555 4699 454 1399 1247 2138 2460 779 1737 1947 3027 1209 727 3596 1436 2069 2223 6052 1708 10178 971 3915 4674 3828 737 7965 1418 4893 5455 2453 1903 669 2625 2790 2651 1252 3078 1893 2694 1005 5423 1172 1237 2336 112 525 Cer(d18:2/22:0) 4457 10075 712 2218 1913 3205 4036 1374 2375 3104 4653 4945 2805 6670 2340 2838 3346 10822 2924 19145 1116 5961 9049 6438 1025 12687 2209 7354 8865 6026 2948 1002 4245 4627 4864 2026 5393 2932 3734 1717 8936 5588 2058 4758 168 963 Cer(d18:2/23:0) 1014 2274 176 470 400 845 691 374 519 743 774 2925 1783 1636 585 593 688 1609 524 2807 206 1266 1591 950 284 1883 400 1175 1485 2964 714 243 818 816 781 360 1060 584 659 289 1240 3831 363 1220 52.4 152 Cer(d18:2/24:0) 4299 11739 435 2256 2026 3671 3974 1178 2066 2764 4694 4173 2623 9209 2977 16.3 2569 3435 17485 3843 34022 873 5794 16316 7316 936 15167 2336 10664 11081 7054 3058 1236 4194 4690 6365 3083 5434 2068 4151 2364 10318 5122 3229 4788 300 1126 Cer(d18:2/24:1) 4445 15199 528 2154 3031 6083 3475 1706 2135 4098 5968 2583 1986 8246 4085 17.5 4088 7096 13349 4701 19738 1751 7487 10052 7261 1787 15421 2293 7574 10673 5768 3720 1579 6591 7291 4232 2924 8275 2772 4813 2753 10466 3730 3027 4090 247 1043 CE(14:0) 371 1654 389 567 1291 1109 4682 495 482 524 2346 1272 1080 16335 655 240 1133 6990 1559 13015 821 16389 1497 2738 7886 1757 7808 4369 1608 869 302 1082 2354 5780 538 463 1842 2530 7103 1373 10730 1972 560 1148 CE(14:1) 141 89.2 348 255 127 147 286 148 298 92.5 578 692 201 432 151 288 384 86.7 115 191 222 99.9 129 125 580 138 526 264 81.7 245 CE(15:0) 806 2044 922 1405 1599 353 953 982 1410 1067 885 772 428 10829 990 703 691 1736 367 3427 2219 1859 1107 2032 477 1207 1618 466 1532 910 1738 1050 836 776 1301 665 435 2147 365 744 1248 344 CE(15:1) 1199 CE(16:0) 2968 8073 2076 2757 9143 3349 18942 2504 3043 3161 8915 3140 2370 39364 2882 1371 10055 27680 2662 53063 788 4575 26151 4258 3401 53792 5728 16834 21698 3047 5822 971 2413 4184 5976 6795 2704 3713 6254 3641 28325 3522 11495 5872 960 2536 CE(16:1) 2509 12677 1248 2144 7197 3626 16312 1893 1329 2239 10020 1608 1503 8801 4860 1034 25895 9823 2628 19635 1159 1733 17152 3735 826 28493 6244 7975 12862 1458 6022 1341 2049 2982 4150 7747 3172 3714 4232 5106 23684 1296 16077 4742 1275 6253 CE(17:0) 743 1021 625 1088 1155 700 1747 503 758 826 1377 674 393 16673 511 447 1530 3087 532 3787 1601 2541 720 433 4847 934 1118 4963 578 1315 644 1039 1812 816 456 986 629 468 3162 391 785 1024 396 CE(17:1) 434 1135 690 762 681 2144 421 383 378 1695 595 539 1460 514 1830 2125 616 3468 636 2385 775 5084 875 966 2467 517 1074 618 536 712 1129 483 703 982 717 3738 518 1407 1189 893 CE(18:0) 874 1658 538 668 1255 1546 10524 496 868 785 5110 1830 937 20416 504 324 3163 13368 1404 24393 390 1323 12920 2706 2938 29126 3367 5088 14624 1902 1349 281 655 664 2970 3824 599 939 2918 1514 15386 1975 4541 3022 500 1656 CE(18:1) 12735 30980 5986 8347 21980 39861 273895 4956 8186 9344 160128 60222 25532 180832 9835 611 5177 78102 161586 35244 426239 6270 10571 372200 63074 60284 836988 102912 82140 278201 55527 28986 6913 8865 8794 88603 143040 10460 16500 68598 54861 475248 53560 177292 113809 10227 79489 CE(18:2) 5238 54113 2710 2480 45928 38858 164683 2144 4118 4047 91594 58212 35661 122878 18137 355 1872 34019 48812 20890 204463 3917 3755 291174 31878 34369 340709 58771 45335 308754 47461 8410 2194 3336 9764 46847 118675 9277 5081 42469 37103 249187 57982 86314 79498 6706 60359 CE(18:3) 533 4158 324 250 1985 6481 20455 334 392 10764 9725 7645 18506 1000 136 4490 4587 2577 27270 494 354 44020 3830 4386 51582 6176 10445 70719 7320 745 138 364 404 6567 20350 573 527 5414 8425 37509 8313 67091 11049 1131 12469 CE(20:0) 39426 3757 2696 6158 21965 6018 2771 2782 2295 4734 3532 5283 4146 19508 5119 5787 2430 4417 4673 2462 3156 7418 2652 3751 21116 9809 5375 2430 2679 5288 2757 3233 2430 4899 10708 2137 6558 CE(20:1) 1196 7686 1593 1305 2848 4516 8976 1044 1276 1036 4791 1753 768 7326 1233 558 5859 5509 1155 27414 1060 2449 20123 2226 1587 79822 4375 3089 41112 5587 2594 1236 1754 8041 4425 1147 1639 2819 1834 15744 8166 3976 3783 574 2699 CE(20:3) 673 2293 356 429 1507 2741 3913 426 1180 656 4657 569 399 7031 791 300 4931 5849 2960 22475 1787 1228 20023 1964 437 29010 4134 2532 23545 1364 1042 505 525 707 4348 6074 680 712 5855 2343 13149 563 8188 2259 718 3228 CE(20:4) 4649 9943 1589 1752 8604 10539 8355 1058 5297 1993 9177 2286 2095 13255 4462 149 1967 21506 8898 9489 19444 4027 3287 31048 3536 1706 52019 8476 4188 24801 3180 4245 2302 2608 1890 7760 17324 2357 3144 13850 5221 18919 3938 17430 5921 1137 7597 CE(20:5) 881 2031 369 466 2859 4526 3721 337 437 579 5465 1515 2028 6660 1256 501 9928 2601 3426 6074 2661 416 12156 1523 1880 36239 2599 1891 7861 1079 1170 631 278 1832 6578 466 918 7385 2339 9662 1326 6069 4641 1433 3043 CE(22:0) 87.3 91.9 92.2 96.4 87.9 127 122 104 152 416 93.7 93.4 CE(22:1) 1141 756 1160 755 1335 836 2944 2659 8498 4570 751 1040 1360 CE(22:2) 164 1888 132 226 303 566 763 168 536 253 299 82.9 619 203 104 946 470 127 5054 201 278 1707 223 8767 350 398 5657 349 558 361 146 854 421 218 200 309 231 1363 124 534 237 83.8 167 CE(22:5) 351 1793 192 208 531 1672 3180 108 344 200 3390 1308 1180 3522 403 192 2542 2817 2126 17128 843 256 10766 1523 517 29875 4105 2223 16031 889 594 251 244 210 3135 5946 244 341 3696 1569 14544 715 6556 2210 486 4756 CE(22:6) 4967 5693 1776 2335 4544 6146 8176 1439 1921 2926 7330 5988 8294 9956 3337 2273 11677 5823 10090 26596 1970 2931 30834 2599 2063 47816 7436 3528 21451 3003 5392 2190 1982 2351 8903 18804 1869 4244 14046 5564 22248 6013 18964 6511 2922 16431 C0 3030 452 1002 461 347 395 468 486 337 12082 4248 3271 1344 1437 1220 2090 757 3084 2419 637 8307 1653 2911 1317 963 891 339 349 677 367 2065 1111 1306 1011 2533 942 3175 2984 2113 1584 1400 C2 52.7 25.4 50.6 174 43.4 88.3 32.2 87 39.1 52.9 12489 205 529 27.2 239 155 20.3 42 42.5 105 71.3 45.4 35.3 59.1 284 49.4 60.2 118 109 31 62.8 56.2 212 68.3 51.3 4141 50.7 2394 77.9 C3 59 959 129 64.9 38.3 45.1 38.9 77.4 50.9 304 134 C3-DC (C4-OH) 40.7 43.4 225 189 152 40.4 78.6 30.8 32.9 34.7 56.4 32.9 590 65.9 C3-OH 8213 C3:1 16.6 19.2 23.6 78.6 15 19.7 49.4 21.4 18.8 17.4 31.4 35.3 14.3 C4 88.4 25.2 58.4 115 33.9 48.5 39.6 28.9 1700 36 124 56 21.5 72 25.6 24.8 48.6 21.8 182 42.9 878 286 C4:1 46.8 178 50.1 C5 72.2 31 59.4 30.5 48 33.9 1079 557 1266 34.5 41.6 28.6 44.9 43.8 33.5 34.9 34.3 43.2 46.7 30.3 41.4 57.4 56.4 45.1 32.2 1041 34.3 284 31.8 30.8 C5-DC (C6-OH) 33.7 33.1 44.2 54.5 195 37.7 29.9 34.7 33.1 41 30.1 47.8 C5-M-DC 41.5 40.1 136 53 37.6 35.2 C5-OH (C3-DC-M) 529 525 484 543 C5:1 130 128 809 170 76.8 C5:1-DC 108 C6 (C4:1-DC) 18.8 179 24.3 77 17.3 38.3 17.6 20 26.6 19.3 18.6 17.2 62.5 C6:1 32.4 45.5 80.9 47.7 80.1 56.6 46.2 35 86 32.7 47.2 41.2 C7-DC 145 C8 969 348 473 97.5 251 129 102 476 C9 245 C10 157 441 988 558 395 189 178 226 181 260 155 247 436 908 C10:1 138 219 550 186 430 145 107 334 C10:2 82 81.5 73.8 121 102 83 C12 116 102 915 546 241 754 287 70.3 371 81.4 71 1254 108 350 285 236 198 214 187 462 141 690 484 91.9 199 C12-DC 858 546 1523 501 499 1757 833 440 964 376 492 878 608 733 C12:1 239 171 76 135 201 110 69.7 59.2 117 288 81.8 C14 55 426 633 1822 579 703 559 1301 748 293 703 289 1512 274 751 364 67.6 264 205 611 61 1693 453 476 1687 69.3 159 C14:1 57.2 84.9 755 963 242 266 385 145 103 160 73.4 1227 128 162 439 94.4 51.8 208 36.5 791 392 195 819 66.3 C14:1-OH 54.5 46.3 210 189 321 212 209 65 560 55.6 245 310 111 471 497 139 75.2 801 395 79.5 257 46.7 215 588 68.1 407 C14:2 37.1 335 757 233 128 97.2 56.7 43.9 63.3 307 44.9 68.5 387 42.3 54.4 247 350 66.9 586 C14:2-OH 81.9 27.6 28.9 36.7 32 74.1 131 83.6 36.4 36.5 28.5 42 30.3 41.5 84.2 31.8 31.8 170 41.6 29.2 38.3 27.5 29.6 34 50.7 197 156 27.7 C16 59.6 98.5 60.6 43.1 122 175 753 313 205 450 48.7 468 59.7 281 142 243 123 1334 286 311 207 110 251 94.4 57.4 442 76.7 788 436 169 493 138 310 C16-OH 64.1 56.8 60.1 104 69.2 112 156 118 88 86.7 163 83.3 56.4 283 53.9 110 50.1 125 151 217 133 C16:1 88.6 702 359 95 275 307 126 69.8 131 49.5 777 136 148 197 74.6 51.2 206 527 219 158 385 79.1 84.4 C16:1-OH 65.2 51.5 33.3 36.2 39.9 34.6 70.3 77.8 54.6 47 28.4 67.6 48.3 42.4 39.1 30.5 116 39.1 34.4 143 34.2 37.2 43.8 30.4 58.4 27.2 47.2 67.8 26.4 91.4 127 31.7 101 28 34.3 C16:2 63.7 115 429 455 177 266 161 114 73.5 105 482 68.3 96.6 236 65 52.8 130 45 354 393 140 370 50.3 47.5 C16:2-OH 39.8 42.9 63.5 94.7 136 88.1 37.2 54.6 62.5 48.7 31.6 82.2 30.5 32.9 98.5 29 26.8 32.4 27.8 26.9 46.1 29.1 58.5 153 43.1 94 56 C18 37.1 89.7 53.6 44.9 137 75.5 73.5 102 113 366 67.6 69.4 64.5 37.9 75.9 43.6 88.8 302 97.5 45.6 98 87.9 41.1 116 46.8 58.8 43.3 114 38.9 111 215 53.3 82.6 49.1 111 C18:1 86.6 259 1352 852 280 450 381 231 149 251 287 1936 268 192 311 117 156 84.3 511 947 554 133 889 84.5 353 C18:1-OH 304 327 468 340 792 293 369 402 268 446 551 352 200 696 403 412 252 616 575 1228 212 711 C18:2 49.4 118 1033 884 255 633 207 157 81.4 174 48 890 129 131 282 67.7 82 56.4 296 680 437 88.1 856 55.5 160 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name TG(14:0_32:2) TG(14:0_34:0) TG(14:0_34:1) TG(14:0_34:2) TG(14:0_34:3) TG(14:0_35:1) TG(14:0_35:2) TG(14:0_36:1) TG(14:0_36:2) TG(14:0_36:3) TG(14:0_36:4) TG(14:0_38:4) TG(14:0_38:5) TG(14:0_39:3) TG(16:0_28:1) TG(16:0_28:2) TG(16:0_30:2) TG(16:0_32:0) TG(16:0_32:1) TG(16:0_32:2) TG(16:0_32:3) TG(16:0_33:1) TG(16:0_33:2) TG(16:0_34:0) TG(16:0_34:1) TG(16:0_34:2) TG(16:0_34:3) TG(16:0_34:4) TG(16:0_35:1) TG(16:0_35:2) TG(16:0_35:3) TG(16:0_36:2) TG(16:0_36:3) TG(16:0_36:4) TG(16:0_36:5) TG(16:0_36:6) TG(16:0_37:3) TG(16:0_38:1) TG(16:0_38:2) TG(16:0_38:3) TG(16:0_38:4) TG(16:0_38:5) TG(16:0_38:6) TG(16:0_38:7) TG(16:0_40:6) TG(16:0_40:7) TG(16:0_40:8) TG(16:1_28:0) TG(16:1_30:1) TG(16:1_32:0) TG(16:1_32:1) TG(16:1_32:2) TG(16:1_33:1) TG(16:1_34:0) TG(16:1_34:1) TG(16:1_34:2) TG(16:1_34:3) TG(16:1_36:1) TG(16:1_36:2) TG(16:1_36:3) TG(16:1_36:4) TG(16:1_36:5) TG(16:1_38:3) TG(16:1_38:4) TG(16:1_38:5) TG(17:0_32:1) TG(17:0_34:1) TG(17:0_34:2) TG(17:0_34:3) TG(17:0_36:3) TG(17:0_36:4) TG(17:1_32:1) TG(17:1_34:1) TG(17:1_34:2) TG(17:1_34:3) TG(17:1_36:3) TG(17:1_36:4) TG(17:1_36:5) TG(17:1_38:5) TG(17:1_38:6) TG(17:1_38:7) TG(17:2_34:2) TG(17:2_34:3) TG(17:2_36:2) TG(17:2_36:3) TG(17:2_36:4) TG(17:2_38:5) TG(17:2_38:6) TG(17:2_38:7) TG(18:0_30:0) TG(18:0_30:1) TG(18:0_32:0) TG(18:0_32:1) TG(18:0_32:2) TG(18:0_34:2) TG(18:0_34:3) TG(18:0_36:1) TG(18:0_36:2) TG(18:0_36:3) TG(18:0_36:4) TG(18:0_36:5) TG(18:0_38:6) TG(18:0_38:7) TG(18:1_26:0) TG(18:1_28:1) TG(18:1_30:0) TG(18:1_30:1) TG(18:1_30:2) TG(18:1_31:0) TG(18:1_32:0) TG(18:1_32:1) TG(18:1_32:2) TG(18:1_32:3) TG(18:1_33:0) TG(18:1_33:1) TG(18:1_33:2) TG(18:1_33:3) TG(18:1_34:1) TG(18:1_34:2) TG(18:1_34:3) TG(18:1_34:4) TG(18:1_35:2) TG(18:1_35:3) TG(18:1_36:0) TG(18:1_36:1) TG(18:1_36:2) TG(18:1_36:3) TG(18:1_36:4) TG(18:1_36:5) TG(18:1_36:6) TG(18:1_38:5) TG(18:1_38:6) TG(18:1_38:7) TG(18:2_28:0) TG(18:2_30:0) TG(18:2_30:1) TG(18:2_31:0) TG(18:2_32:0) TG(18:2_32:1) TG(18:2_32:2) TG(18:2_33:0) TG(18:2_33:1) TG(18:2_33:2) TG(18:2_34:0) TG(18:2_34:1) TG(18:2_34:2) TG(18:2_34:3) TG(18:2_34:4) TG(18:2_35:1) TG(18:2_35:2) TG(18:2_35:3) TG(18:2_36:0) TG(18:2_36:1) TG(18:2_36:2) TG(18:2_36:3) TG(18:2_36:4) TG(18:2_36:5) TG(18:2_38:4) TG(18:2_38:5) TG(18:2_38:6) TG(18:3_30:0) TG(18:3_32:0) TG(18:3_32:1) TG(18:3_33:2) TG(18:3_34:0) TG(18:3_34:1) TG(18:3_34:2) TG(18:3_34:3) TG(18:3_35:2) TG(18:3_36:1) TG(18:3_36:2) TG(18:3_36:3) TG(18:3_36:4) TG(18:3_38:5) TG(18:3_38:6) TG(20:0_32:3) TG(20:0_32:4) TG(20:0_34:1) TG(20:1_24:3) TG(20:1_26:1) TG(20:1_30:1) TG(20:1_31:0) TG(20:1_32:1) TG(20:1_32:2) TG(20:1_32:3) TG(20:1_34:0) TG(20:1_34:1) TG(20:1_34:2) TG(20:1_34:3) TG(20:2_32:0) TG(20:2_32:1) TG(20:2_34:1) TG(20:2_34:2) TG(20:2_34:3) TG(20:2_34:4) TG(20:2_36:5) TG(20:3_32:0) TG(20:3_32:1) TG(20:3_32:2) TG(20:3_34:0) TG(20:3_34:1) TG(20:3_34:2) TG(20:3_34:3) TG(20:3_36:3) TG(20:3_36:4) TG(20:3_36:5) TG(20:4_30:0) TG(20:4_32:0) TG(20:4_32:1) TG(20:4_32:2) TG(20:4_33:2) TG(20:4_34:0) TG(20:4_34:1) TG(20:4_34:2) TG(20:4_34:3) TG(20:4_35:3) TG(20:4_36:2) TG(20:4_36:3) TG(20:4_36:4) TG(20:4_36:5) TG(20:5_34:0) TG(20:5_34:1) TG(20:5_34:2) TG(20:5_36:2) TG(20:5_36:3) TG(22:0_32:4) TG(22:1_32:5) TG(22:2_32:4) TG(22:3_30:2) TG(22:4_32:0) TG(22:4_32:2) TG(22:4_34:2) TG(22:5_32:0) TG(22:5_32:1) TG(22:5_34:1) TG(22:5_34:2) TG(22:5_34:3) TG(22:6_32:0) TG(22:6_32:1) TG(22:6_34:1) TG(22:6_34:2) TG(22:6_34:3) lysoPC a C14:0 lysoPC a C16:0 lysoPC a C16:1 lysoPC a C17:0 lysoPC a C18:0 lysoPC a C18:1 lysoPC a C18:2 lysoPC a C20:3 lysoPC a C20:4 lysoPC a C24:0 lysoPC a C26:0 lysoPC a C26:1 lysoPC a C28:0 lysoPC a C28:1 PC aa C24:0 PC aa C26:0 PC aa C28:1 PC aa C30:0 PC aa C30:2 PC aa C32:0 PC aa C32:1 PC aa C32:2 PC aa C32:3 PC aa C34:1 PC aa C34:2 PC aa C34:3 PC aa C34:4 PC aa C36:0 PC aa C36:1 PC aa C36:2 PC aa C36:3 PC aa C36:4 PC aa C36:5 PC aa C36:6 PC aa C38:0 PC aa C38:1 PC aa C38:3 PC aa C38:4 PC aa C38:5 PC aa C38:6 PC aa C40:1 PC aa C40:2 PC aa C40:3 PC aa C40:4 PC aa C40:5 PC aa C40:6 PC aa C42:0 PC aa C42:1 PC aa C42:2 PC aa C42:4 PC aa C42:5 PC aa C42:6 PC ae C30:0 PC ae C30:1 PC ae C30:2 PC ae C32:1 PC ae C32:2 PC ae C34:0 PC ae C34:1 PC ae C34:2 PC ae C34:3 PC ae C36:0 PC ae C36:1 PC ae C36:2 PC ae C36:3 PC ae C36:4 PC ae C36:5 PC ae C38:0 PC ae C38:1 PC ae C38:2 PC ae C38:3 PC ae C38:4 PC ae C38:5 PC ae C38:6 PC ae C40:1 PC ae C40:2 PC ae C40:3 PC ae C40:4 PC ae C40:5 PC ae C40:6 PC ae C42:0 PC ae C42:1 PC ae C42:2 PC ae C42:3 PC ae C42:4 PC ae C42:5 PC ae C44:3 PC ae C44:4 PC ae C44:5 PC ae C44:6 Hex2Cer(d18:1/14:0) Hex2Cer(d18:1/16:0) Hex2Cer(d18:1/18:0) Hex2Cer(d18:1/20:0) Hex2Cer(d18:1/22:0) Hex2Cer(d18:1/24:0) Hex2Cer(d18:1/24:1) Hex2Cer(d18:1/26:0) Hex2Cer(d18:1/26:1) Hex3Cer(d18:1/16:0) Hex3Cer(d18:1/18:0) Hex3Cer(d18:1/24:1) Hex3Cer(d18:1/26:1) Hex3Cer(d18:1_20:0) Hex3Cer(d18:1_22:0) HexCer(d16:1/22:0) HexCer(d16:1/24:0) HexCer(d18:1/14:0) HexCer(d18:1/16:0) HexCer(d18:1/18:0) HexCer(d18:1/18:1) HexCer(d18:1/20:0) HexCer(d18:1/22:0) HexCer(d18:1/23:0) HexCer(d18:1/24:0) HexCer(d18:1/24:1) HexCer(d18:1/26:0) HexCer(d18:1/26:1) HexCer(d18:2/16:0) HexCer(d18:2/18:0) HexCer(d18:2/20:0) HexCer(d18:2/22:0) HexCer(d18:2/23:0) HexCer(d18:2/24:0) DG(14:0_14:0) DG(14:0_18:1) DG(14:0_18:2) DG(14:0_20:0) DG(14:1_18:1) DG(14:1_20:2) DG(16:0_16:0) DG(16:0_16:1) DG(16:0_18:1) DG(16:0_18:2) DG(16:0_20:0) DG(16:0_20:3) DG(16:0_20:4) DG(16:1_18:0) DG(16:1_18:1) DG(16:1_18:2) DG(16:1_20:0) DG(17:0_17:1) DG(17:0_18:1) DG(18:0_20:0) DG(18:0_20:4) DG(18:1_18:1) DG(18:1_18:2) DG(18:1_18:3) DG(18:1_18:4) DG(18:1_20:0) DG(18:1_20:1) DG(18:1_20:2) DG(18:1_20:3) DG(18:1_20:4) DG(18:1_22:5) DG(18:1_22:6) DG(18:2_18:2) DG(18:2_18:3) DG(18:2_18:4) DG(18:2_20:0) DG(18:2_20:4) DG(18:3_18:3) DG(18:3_20:2) DG(21:0_22:6) DG(22:1_22:2) DG-O(14:0_18:2) DG-O(16:0_18:1) DG-O(16:0_20:4) Cer(d18:0/18:0(OH)) Cer(d18:0/18:0) Cer(d18:0/20:0) Cer(d18:0/22:0) Cer(d18:0/24:0) Cer(d18:0/24:1) Cer(d18:0/26:1(OH)) Cer(d18:0/26:1) Cer(d16:1/18:0) Cer(d16:1/20:0) Cer(d16:1/22:0) Cer(d16:1/23:0) Cer(d16:1/24:0) Cer(d18:1/14:0) Cer(d18:1/16:0) Cer(d18:1/18:0(OH)) Cer(d18:1/18:0) Cer(d18:1/18:1) Cer(d18:1/20:0(OH)) Cer(d18:1/20:0) Cer(d18:1/22:0) Cer(d18:1/23:0) Cer(d18:1/24:0) Cer(d18:1/24:1) Cer(d18:1/25:0) Cer(d18:1/26:0) Cer(d18:1/26:1) Cer(d18:2/14:0) Cer(d18:2/16:0) Cer(d18:2/18:0) Cer(d18:2/18:1) Cer(d18:2/20:0) Cer(d18:2/22:0) Cer(d18:2/23:0) Cer(d18:2/24:0) Cer(d18:2/24:1) CE(14:0) CE(14:1) CE(15:0) CE(15:1) CE(16:0) CE(16:1) CE(17:0) CE(17:1) CE(18:0) CE(18:1) CE(18:2) CE(18:3) CE(20:0) CE(20:1) CE(20:3) CE(20:4) CE(20:5) CE(22:0) CE(22:1) CE(22:2) CE(22:5) CE(22:6) C0 C2 C3 C3-DC (C4-OH) C3-OH C3:1 C4 C4:1 C5 C5-DC (C6-OH) C5-M-DC C5-OH (C3-DC-M) C5:1 C5:1-DC C6 (C4:1-DC) C6:1 C7-DC C8 C9 C10 C10:1 C10:2 C12 C12-DC C12:1 C14 C14:1 C14:1-OH C14:2 C14:2-OH C16 C16-OH C16:1 C16:1-OH C16:2 C16:2-OH C18 C18:1 C18:1-OH C18:2 METABOLITES_END #END