#METABOLOMICS WORKBENCH Flyppy_20241206_001019 DATATRACK_ID:5434 STUDY_ID:ST003617 ANALYSIS_ID:AN005943 PROJECT_ID:PR002236 VERSION 1 CREATED_ON December 6, 2024, 1:36 am #PROJECT PR:PROJECT_TITLE Metabolic adaptations in pancreatic ductal adenocarcinoma-patient derived PR:PROJECT_TITLE xenograft models across serial passages PR:PROJECT_SUMMARY Patient-derived xenograft (PDX) models serve as essential tools for PR:PROJECT_SUMMARY investigating tumor biology and evaluating therapeutic responses. This study PR:PROJECT_SUMMARY systematically characterizes transcriptomic, metabolic, and proteomic changes in PR:PROJECT_SUMMARY PDX models derived from pancreatic ductal adenocarcinoma (PDAC) during serial PR:PROJECT_SUMMARY passaging, offering valuable insights into their potential for advancing tumor PR:PROJECT_SUMMARY biology research and optimizing drug screening applications, and laying a solid PR:PROJECT_SUMMARY foundation for future studies. PR:INSTITUTE Xiamen university PR:LAST_NAME Guo PR:FIRST_NAME Pengfei PR:ADDRESS Zengcuoan street, Xiamen, Fujian, 441000, China PR:EMAIL 451965557@qq.com PR:PHONE 18965187376 #STUDY ST:STUDY_TITLE Metabolic adaptations in pancreatic ductal adenocarcinoma-patient derived ST:STUDY_TITLE xenograft models across serial passages ST:STUDY_SUMMARY Patient-derived xenograft (PDX) models serve as essential tools for ST:STUDY_SUMMARY investigating tumor biology and evaluating therapeutic responses. This study ST:STUDY_SUMMARY systematically characterizes transcriptomic, metabolic, and proteomic changes in ST:STUDY_SUMMARY PDX models derived from pancreatic ductal adenocarcinoma (PDAC) during serial ST:STUDY_SUMMARY passaging, offering valuable insights into their potential for advancing tumor ST:STUDY_SUMMARY biology research and optimizing drug screening applications, and laying a solid ST:STUDY_SUMMARY foundation for future studies. ST:INSTITUTE Xiamen university ST:LAST_NAME Guo ST:FIRST_NAME Pengfei ST:ADDRESS Zengcuoan street, Xiamen, Fujian, 441000, China ST:EMAIL 451965557@qq.com ST:PHONE 18965187376 #SUBJECT SU:SUBJECT_TYPE Human SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #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 - PDAC1 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIA | albumin:37.30 | CA199:15.84 | CA125:29.79 | CEA:4.50 | CA242:- | CA153:6.61 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC2 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC3 Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC9 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 RAW_FILE_NAME(Raw file name)=PDAC9 SUBJECT_SAMPLE_FACTORS - PDAC13 Sample source:tissue | Gender:male | Age:66 | AJCC stage:IB | albumin:36.70 | CA199:363.10 | CA125:13.99 | CEA:1.80 | CA242:5.07 | CA153:14.65 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC14 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:37.30 | CA199:1.81 | CA125:15.57 | CEA:4.80 | CA242:- | CA153:7.49 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC16 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC17 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC18 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- RAW_FILE_NAME(Raw file name)=PDAC8 SUBJECT_SAMPLE_FACTORS - PDAC19 Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 RAW_FILE_NAME(Raw file name)=PDAC9 SUBJECT_SAMPLE_FACTORS - PDAC21 Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC24 Sample source:tissue | Gender:female | Age:62 | AJCC stage:III | albumin:44.60 | CA199:401.9 | CA125:17.13 | CEA:1.30 | CA242:- | CA153:13.47 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC27 Sample source:tissue | Gender:male | Age:61 | AJCC stage:III | albumin:45.90 | CA199:224.10 | CA125:17.47 | CEA:7.20 | CA242:- | CA153:12.95 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC28 Sample source:tissue | Gender:male | Age:70 | AJCC stage:IIB | albumin:35.40 | CA199:669.60 | CA125:49.02 | CEA:5.70 | CA242:- | CA153:26.41 RAW_FILE_NAME(Raw file name)=PDAC8 SUBJECT_SAMPLE_FACTORS - PDAC30 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:42.9 | CA199:25.47 | CA125:72.19 | CEA:2.5 | CA242:- | CA153:15.04 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC37 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:41.2 | CA199:272.3 | CA125:40.78 | CEA:2.3 | CA242:- | CA153:13.93 RAW_FILE_NAME(Raw file name)=PDAC SUBJECT_SAMPLE_FACTORS - PDAC43 Sample source:tissue | Gender:female | Age:51 | AJCC stage:IIB | albumin:39.00 | CA199:201.60 | CA125:55.48 | CEA:1.70 | CA242:19.40 | CA153:10.58 RAW_FILE_NAME(Raw file name)=PDAC# SUBJECT_SAMPLE_FACTORS - PDAC45 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 RAW_FILE_NAME(Raw file name)=PDAC% SUBJECT_SAMPLE_FACTORS - PDAC46 Sample source:tissue | Gender:female | Age:49 | AJCC stage:III | albumin:39.90 | CA199:428.80 | CA125:5.66 | CEA:1.50 | CA242:- | CA153:7.49 RAW_FILE_NAME(Raw file name)=PDAC& SUBJECT_SAMPLE_FACTORS - PDAC48 Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 RAW_FILE_NAME(Raw file name)=PDAC8 SUBJECT_SAMPLE_FACTORS - PDAC49 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IIA | albumin:40.9 | CA199:225.9 | CA125:6.87 | CEA:1.9 | CA242:- | CA153:7.18 RAW_FILE_NAME(Raw file name)=PDAC9 SUBJECT_SAMPLE_FACTORS - PDAC52 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 RAW_FILE_NAME(Raw file name)=PDAC* SUBJECT_SAMPLE_FACTORS - PDAC54 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDAC, SUBJECT_SAMPLE_FACTORS - PDAC55 Sample source:tissue | Gender:male | Age:58 | AJCC stage:III | albumin:40.60 | CA199:323.40 | CA125:11.70 | CEA:3.30 | CA242:85.28 | CA153:10.21 RAW_FILE_NAME(Raw file name)=PDAC- SUBJECT_SAMPLE_FACTORS - PDAC57 Sample source:tissue | Gender:female | Age:79 | AJCC stage:IB | albumin:40.50 | CA199:1.03 | CA125:14.89 | CEA:3.50 | CA242:- | CA153:12.07 RAW_FILE_NAME(Raw file name)=PDAC/ SUBJECT_SAMPLE_FACTORS - PDAC60 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDAC0 SUBJECT_SAMPLE_FACTORS - PDAC63 Sample source:tissue | Gender:male | Age:49 | AJCC stage:IB | albumin:44.10 | CA199:1.23 | CA125:9.20 | CEA:9.30 | CA242:- | CA153:10.61 RAW_FILE_NAME(Raw file name)=PDAC3 SUBJECT_SAMPLE_FACTORS - PDAC69 Sample source:tissue | Gender:male | Age:53 | AJCC stage:III | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDAC9 SUBJECT_SAMPLE_FACTORS - PDAC71 Sample source:tissue | Gender:male | Age:44 | AJCC stage:III | albumin:46.3 | CA199:0.6 | CA125:12.11 | CEA:3.2 | CA242:- | CA153:16.02 RAW_FILE_NAME(Raw file name)=PDAC9 SUBJECT_SAMPLE_FACTORS - PDAC75 Sample source:tissue | Gender:male | Age:61 | AJCC stage:IB | albumin:42.70 | CA199:64.85 | CA125:29.27 | CEA:7.30 | CA242:- | CA153:17.60 RAW_FILE_NAME(Raw file name)=PDAC= SUBJECT_SAMPLE_FACTORS - PDAC76 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IA | albumin:48.6 | CA199:1.28 | CA125:14.78 | CEA:5.8 | CA242:- | CA153:14.57 RAW_FILE_NAME(Raw file name)=PDAC> SUBJECT_SAMPLE_FACTORS - PDAC77 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 RAW_FILE_NAME(Raw file name)=PDAC? SUBJECT_SAMPLE_FACTORS - PDAC78 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IB | albumin:46.10 | CA199:12.74 | CA125:16.41 | CEA:2.30 | CA242:- | CA153:19.94 RAW_FILE_NAME(Raw file name)=PDAC8 SUBJECT_SAMPLE_FACTORS - PDAC80 Sample source:tissue | Gender:female | Age:69 | AJCC stage:III | albumin:41.00 | CA199:155.50 | CA125:11.39 | CEA:1.90 | CA242:- | CA153:6.25 RAW_FILE_NAME(Raw file name)=PDAC80 SUBJECT_SAMPLE_FACTORS - PDAC82 Sample source:tissue | Gender:female | Age:65 | AJCC stage:IIB | albumin:36.3 | CA199:130.9 | CA125:11.3 | CEA:1.7 | CA242:- | CA153:14.35 RAW_FILE_NAME(Raw file name)=PDAC82 SUBJECT_SAMPLE_FACTORS - PDAC84 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 RAW_FILE_NAME(Raw file name)=PDAC84 SUBJECT_SAMPLE_FACTORS - PDAC85 Sample source:tissue | Gender:female | Age:74 | AJCC stage:IIB | albumin:28.9 | CA199:>1000 | CA125:- | CEA:19.1 | CA242:- | CA153:14.21 RAW_FILE_NAME(Raw file name)=PDAC85 SUBJECT_SAMPLE_FACTORS - PDAC103 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 RAW_FILE_NAME(Raw file name)=PDACC SUBJECT_SAMPLE_FACTORS - PDAC104 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 RAW_FILE_NAME(Raw file name)=PDACD SUBJECT_SAMPLE_FACTORS - PDAC115 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 RAW_FILE_NAME(Raw file name)=PDACM SUBJECT_SAMPLE_FACTORS - PDAC124 Sample source:tissue | Gender:female | Age:- | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 RAW_FILE_NAME(Raw file name)=PDACT SUBJECT_SAMPLE_FACTORS - PDAC126 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDACV SUBJECT_SAMPLE_FACTORS - PDAC127 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIB | albumin:38.60 | CA199:925.90 | CA125:37.50 | CEA:6.50 | CA242:94.63 | CA153:63.36 RAW_FILE_NAME(Raw file name)=PDACW SUBJECT_SAMPLE_FACTORS - PDX1 Sample source:tissue | Gender:male | Age:58 | AJCC stage:III | albumin:40.60 | CA199:323.40 | CA125:11.70 | CEA:3.30 | CA242:85.28 | CA153:10.21 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX2 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIB | albumin:38.60 | CA199:925.90 | CA125:37.50 | CEA:6.50 | CA242:94.63 | CA153:63.36 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX3 Sample source:tissue | Gender:male | Age:44 | AJCC stage:III | albumin:46.3 | CA199:0.6 | CA125:12.11 | CEA:3.2 | CA242:- | CA153:16.02 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX5 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX11 Sample source:tissue | Gender:male | Age:49 | AJCC stage:IIA | albumin:44.70 | CA199:12.42 | CA125:17.14 | CEA:1.20 | CA242:- | CA153:21.65 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX13 Sample source:tissue | Gender:female | Age:69 | AJCC stage:III | albumin:41.00 | CA199:155.50 | CA125:11.39 | CEA:1.90 | CA242:- | CA153:6.25 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX18 Sample source:tissue | Gender:female | Age:79 | AJCC stage:IB | albumin:40.50 | CA199:1.03 | CA125:14.89 | CEA:3.50 | CA242:- | CA153:12.07 RAW_FILE_NAME(Raw file name)=PDX8 SUBJECT_SAMPLE_FACTORS - PDX20 Sample source:tissue | Gender:male | Age:66 | AJCC stage:IB | albumin:36.70 | CA199:363.10 | CA125:13.99 | CEA:1.80 | CA242:5.07 | CA153:14.65 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX21 Sample source:tissue | Gender:female | Age:62 | AJCC stage:III | albumin:44.60 | CA199:401.9 | CA125:17.13 | CEA:1.30 | CA242:- | CA153:13.47 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX22 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX32 Sample source:tissue | Gender:male | Age:61 | AJCC stage:III | albumin:45.90 | CA199:224.10 | CA125:17.47 | CEA:7.20 | CA242:- | CA153:12.95 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX33 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IIA | albumin:40.9 | CA199:225.9 | CA125:6.87 | CEA:1.9 | CA242:- | CA153:7.18 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX36 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX37 Sample source:tissue | Gender:female | Age:65 | AJCC stage:IIB | albumin:36.3 | CA199:130.9 | CA125:11.3 | CEA:1.7 | CA242:- | CA153:14.35 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX38 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 RAW_FILE_NAME(Raw file name)=PDX8 SUBJECT_SAMPLE_FACTORS - PDX39 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IA | albumin:48.6 | CA199:1.28 | CA125:14.78 | CEA:5.8 | CA242:- | CA153:14.57 RAW_FILE_NAME(Raw file name)=PDX9 SUBJECT_SAMPLE_FACTORS - PDX17 Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX24 Sample source:tissue | Gender:female | Age:49 | AJCC stage:III | albumin:39.90 | CA199:428.80 | CA125:5.66 | CEA:1.50 | CA242:- | CA153:7.49 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX29 Sample source:tissue | Gender:male | Age:70 | AJCC stage:IIB | albumin:35.40 | CA199:669.60 | CA125:49.02 | CEA:5.70 | CA242:- | CA153:26.41 RAW_FILE_NAME(Raw file name)=PDX9 SUBJECT_SAMPLE_FACTORS - PDX30 Sample source:tissue | Gender:male | Age:53 | AJCC stage:- | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX34 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:41.2 | CA199:272.3 | CA125:40.78 | CEA:2.3 | CA242:- | CA153:13.93 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX35 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX40 Sample source:tissue | Gender:female | Age:74 | AJCC stage:IIB | albumin:28.9 | CA199:>1000 | CA125:- | CEA:19.1 | CA242:- | CA153:14.21 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX4 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX6 Sample source:tissue | Gender:female | Age:51 | AJCC stage:IIB | albumin:39.00 | CA199:201.60 | CA125:55.48 | CEA:1.70 | CA242:19.40 | CA153:10.58 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX9 Sample source:tissue | Gender:male | Age:49 | AJCC stage:IB | albumin:44.10 | CA199:1.23 | CA125:9.20 | CEA:9.30 | CA242:- | CA153:10.61 RAW_FILE_NAME(Raw file name)=PDX9 SUBJECT_SAMPLE_FACTORS - PDX14 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:42.90 | CA199:25.47 | CA125:72.19 | CEA:2.50 | CA242:- | CA153:15.04 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX15 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IB | albumin:46.10 | CA199:12.74 | CA125:16.41 | CEA:2.30 | CA242:- | CA153:19.94 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX16 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIA | albumin:37.30 | CA199:15.84 | CA125:29.79 | CEA:4.50 | CA242:- | CA153:6.61 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX23 Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX25 Sample source:tissue | Gender:male | Age:61 | AJCC stage:IB | albumin:42.70 | CA199:64.85 | CA125:29.27 | CEA:7.30 | CA242:- | CA153:17.60 RAW_FILE_NAME(Raw file name)=PDX SUBJECT_SAMPLE_FACTORS - PDX28 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:37.30 | CA199:1.81 | CA125:15.57 | CEA:4.80 | CA242:- | CA153:7.49 RAW_FILE_NAME(Raw file name)=PDX8 SUBJECT_SAMPLE_FACTORS - PDX19 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- RAW_FILE_NAME(Raw file name)=PDX9 SUBJECT_SAMPLE_FACTORS - Con1 Sample source:tissue | Gender:male | Age:31 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con2 Sample source:tissue | Gender:female | Age:51 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con3 Sample source:tissue | Gender:male | Age:50 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con4 Sample source:tissue | Gender:female | Age:66 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con8 Sample source:tissue | Gender:female | Age:58 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con8 SUBJECT_SAMPLE_FACTORS - Con11 Sample source:tissue | Gender:male | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con12 Sample source:tissue | Gender:female | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con13 Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con14 Sample source:tissue | Gender:female | Age:56 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con15 Sample source:tissue | Gender:female | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con16 Sample source:tissue | Gender:female | Age:29 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con18 Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con8 SUBJECT_SAMPLE_FACTORS - Con21 Sample source:tissue | Gender:female | Age:56 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con22 Sample source:tissue | Gender:female | Age:40 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con24 Sample source:tissue | Gender:female | Age:58 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con26 Sample source:tissue | Gender:male | Age:36 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con27 Sample source:tissue | Gender:male | Age:65 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con29 Sample source:tissue | Gender:male | Age:55 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con9 SUBJECT_SAMPLE_FACTORS - Con30 Sample source:tissue | Gender:male | Age:61 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con34 Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con35 Sample source:tissue | Gender:female | Age:64 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con36 Sample source:tissue | Gender:male | Age:34 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con38 Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con8 SUBJECT_SAMPLE_FACTORS - Con40 Sample source:tissue | Gender:female | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con SUBJECT_SAMPLE_FACTORS - Con41 Sample source:tissue | Gender:male | Age:75 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con! SUBJECT_SAMPLE_FACTORS - Con42 Sample source:tissue | Gender:female | Age:35 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con" SUBJECT_SAMPLE_FACTORS - Con46 Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con& SUBJECT_SAMPLE_FACTORS - Con49 Sample source:tissue | Gender:female | Age:13 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con9 SUBJECT_SAMPLE_FACTORS - Con51 Sample source:tissue | Gender:female | Age:16 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con) SUBJECT_SAMPLE_FACTORS - Con53 Sample source:tissue | Gender:female | Age:53 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con+ SUBJECT_SAMPLE_FACTORS - Con55 Sample source:tissue | Gender:female | Age:38 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con- SUBJECT_SAMPLE_FACTORS - Con57 Sample source:tissue | Gender:male | Age:45 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con/ SUBJECT_SAMPLE_FACTORS - Con60 Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con0 SUBJECT_SAMPLE_FACTORS - Con62 Sample source:tissue | Gender:male | Age:62 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con2 SUBJECT_SAMPLE_FACTORS - Con64 Sample source:tissue | Gender:female | Age:65 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con4 SUBJECT_SAMPLE_FACTORS - Con66 Sample source:tissue | Gender:female | Age:67 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con6 SUBJECT_SAMPLE_FACTORS - Con67 Sample source:tissue | Gender:male | Age:62 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con7 SUBJECT_SAMPLE_FACTORS - Con69 Sample source:tissue | Gender:male | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con9 SUBJECT_SAMPLE_FACTORS - Con70 Sample source:tissue | Gender:female | Age:43 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con8 SUBJECT_SAMPLE_FACTORS - Con77 Sample source:tissue | Gender:female | Age:53 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ RAW_FILE_NAME(Raw file name)=Con? #COLLECTION CO:COLLECTION_SUMMARY In brief, fresh pancreatic tumor tissues were collected and placed in CO:COLLECTION_SUMMARY pre-chilled PBS (phosphate-buffered saline) containing 0.05% CO:COLLECTION_SUMMARY penicillin-streptomycin to prevent contamination. Tissues were cut into CO:COLLECTION_SUMMARY approximately 2×2×3 mm³ fragments CO:SAMPLE_TYPE Pancreas #TREATMENT TR:TREATMENT_SUMMARY None #SAMPLEPREP SP:SAMPLEPREP_SUMMARY Approximately 300 mg of tissue was homogenized with a mixture of 1.2 mL CH3OH SP:SAMPLEPREP_SUMMARY (methanol) and 0.6 mL double distilled water at 4 °C using a high-flux grinder. SP:SAMPLEPREP_SUMMARY Subsequently, 1.2 mL of chloroform and 1.2 mL of double distilled water were SP:SAMPLEPREP_SUMMARY added and the mixture was vortexed for 60 s. After resting on the ice for 15 SP:SAMPLEPREP_SUMMARY min, the mixture was centrifuged at 10 000 g at 4 °C for 10 min and the SP:SAMPLEPREP_SUMMARY supernatant was transferred into a 5-ml EP tube. Nitrogen blowing was subjected SP:SAMPLEPREP_SUMMARY to the sample to remove methanol, and the resulting liquid was lyophilized. The SP:SAMPLEPREP_SUMMARY freeze-dried powder was stored at -80 °C. The freeze-dried tissue powder was SP:SAMPLEPREP_SUMMARY dissolved in 550 μL of deuterated phosphate buffer solution (pH=7.4, 150 mM) SP:SAMPLEPREP_SUMMARY containing 0.05% TSP and mixed thoroughly using an oscillator for 5 minutes. SP:SAMPLEPREP_SUMMARY Following centrifugation at 10 000 g and 4 ℃ for 10 minutes, 500 μL of the SP:SAMPLEPREP_SUMMARY supernatant was transferred into a 5-mm NMR tube (ST500, NORELL, Inc, Morganton, SP:SAMPLEPREP_SUMMARY North Carolina) for NMR analysis. #ANALYSIS AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME 600 MHz Bruker Avance III NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:SPECTROMETER_FREQUENCY 600M #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS peak area NMR_METABOLITE_DATA_START Samples Con1 Con2 Con3 Con4 Con8 Con11 Con13 Con15 Con16 Con21 Con22 Con26 Con29 Con27 Con30 Con34 Con35 Con36 Con38 Con40 Con41 Con42 Con46 Con49 Con51 Con53 Con55 Con60 Con62 Con64 Con66 Con69 Con70 Con12 Con14 Con18 Con24 Con67 Con77 Con57 PDAC1 PDAC2 PDAC3 PDAC9 PDAC13 PDAC14 PDAC17 PDAC16 PDAC18 PDAC19 PDAC21 PDAC24 PDAC27 PDAC28 PDAC30 PDAC37 PDAC43 PDAC45 PDAC46 PDAC48 PDAC49 PDAC52 PDAC54 PDAC55 PDAC57 PDAC60 PDAC63 PDAC69 PDAC71 PDAC75 PDAC76 PDAC77 PDAC78 PDAC80 PDAC82 PDAC84 PDAC85 PDAC103 PDAC104 PDAC115 PDAC124 PDAC126 PDAC127 PDX21 PDX22 PDX23 PDX24 PDX25 PDX28 PDX29 PDX30 PDX32 PDX33 PDX34 PDX35 PDX36 PDX37 PDX38 PDX40 PDX39 PDX1 PDX2 PDX3 PDX4 PDX5 PDX6 PDX9 PDX11 PDX13 PDX14 PDX15 PDX16 PDX17 PDX18 PDX19 PDX20 Factors Sample source:tissue | Gender:male | Age:31 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:51 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:50 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:66 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:58 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:29 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:56 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:40 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:36 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:55 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:65 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:61 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:64 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:34 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:75 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:35 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:13 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:16 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:53 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:38 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:62 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:65 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:67 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:60 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:43 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:63 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:56 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:59 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:58 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:62 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:53 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:male | Age:45 | AJCC stage:/ | albumin:/ | CA199:/ | CA125:/ | CEA:/ | CA242:/ | CA153:/ Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIA | albumin:37.30 | CA199:15.84 | CA125:29.79 | CEA:4.50 | CA242:- | CA153:6.61 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 Sample source:tissue | Gender:male | Age:66 | AJCC stage:IB | albumin:36.70 | CA199:363.10 | CA125:13.99 | CEA:1.80 | CA242:5.07 | CA153:14.65 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:37.30 | CA199:1.81 | CA125:15.57 | CEA:4.80 | CA242:- | CA153:7.49 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 Sample source:tissue | Gender:female | Age:62 | AJCC stage:III | albumin:44.60 | CA199:401.9 | CA125:17.13 | CEA:1.30 | CA242:- | CA153:13.47 Sample source:tissue | Gender:male | Age:61 | AJCC stage:III | albumin:45.90 | CA199:224.10 | CA125:17.47 | CEA:7.20 | CA242:- | CA153:12.95 Sample source:tissue | Gender:male | Age:70 | AJCC stage:IIB | albumin:35.40 | CA199:669.60 | CA125:49.02 | CEA:5.70 | CA242:- | CA153:26.41 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:42.9 | CA199:25.47 | CA125:72.19 | CEA:2.5 | CA242:- | CA153:15.04 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:41.2 | CA199:272.3 | CA125:40.78 | CEA:2.3 | CA242:- | CA153:13.93 Sample source:tissue | Gender:female | Age:51 | AJCC stage:IIB | albumin:39.00 | CA199:201.60 | CA125:55.48 | CEA:1.70 | CA242:19.40 | CA153:10.58 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 Sample source:tissue | Gender:female | Age:49 | AJCC stage:III | albumin:39.90 | CA199:428.80 | CA125:5.66 | CEA:1.50 | CA242:- | CA153:7.49 Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IIA | albumin:40.9 | CA199:225.9 | CA125:6.87 | CEA:1.9 | CA242:- | CA153:7.18 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- Sample source:tissue | Gender:male | Age:58 | AJCC stage:III | albumin:40.60 | CA199:323.40 | CA125:11.70 | CEA:3.30 | CA242:85.28 | CA153:10.21 Sample source:tissue | Gender:female | Age:79 | AJCC stage:IB | albumin:40.50 | CA199:1.03 | CA125:14.89 | CEA:3.50 | CA242:- | CA153:12.07 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- Sample source:tissue | Gender:male | Age:49 | AJCC stage:IB | albumin:44.10 | CA199:1.23 | CA125:9.20 | CEA:9.30 | CA242:- | CA153:10.61 Sample source:tissue | Gender:male | Age:53 | AJCC stage:III | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- Sample source:tissue | Gender:male | Age:44 | AJCC stage:III | albumin:46.3 | CA199:0.6 | CA125:12.11 | CEA:3.2 | CA242:- | CA153:16.02 Sample source:tissue | Gender:male | Age:61 | AJCC stage:IB | albumin:42.70 | CA199:64.85 | CA125:29.27 | CEA:7.30 | CA242:- | CA153:17.60 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IA | albumin:48.6 | CA199:1.28 | CA125:14.78 | CEA:5.8 | CA242:- | CA153:14.57 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IB | albumin:46.10 | CA199:12.74 | CA125:16.41 | CEA:2.30 | CA242:- | CA153:19.94 Sample source:tissue | Gender:female | Age:69 | AJCC stage:III | albumin:41.00 | CA199:155.50 | CA125:11.39 | CEA:1.90 | CA242:- | CA153:6.25 Sample source:tissue | Gender:female | Age:65 | AJCC stage:IIB | albumin:36.3 | CA199:130.9 | CA125:11.3 | CEA:1.7 | CA242:- | CA153:14.35 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 Sample source:tissue | Gender:female | Age:74 | AJCC stage:IIB | albumin:28.9 | CA199:>1000 | CA125:- | CEA:19.1 | CA242:- | CA153:14.21 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 Sample source:tissue | Gender:female | Age:- | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIB | albumin:38.60 | CA199:925.90 | CA125:37.50 | CEA:6.50 | CA242:94.63 | CA153:63.36 Sample source:tissue | Gender:female | Age:62 | AJCC stage:III | albumin:44.60 | CA199:401.9 | CA125:17.13 | CEA:1.30 | CA242:- | CA153:13.47 Sample source:tissue | Gender:female | Age:56 | AJCC stage:IIB | albumin:40.70 | CA199:38.86 | CA125:20.70 | CEA:2.50 | CA242:- | CA153:9.89 Sample source:tissue | Gender:female | Age:70 | AJCC stage:IIB | albumin:42.30 | CA199:428.3 | CA125:10.17 | CEA:5.50 | CA242:- | CA153:8.98 Sample source:tissue | Gender:female | Age:49 | AJCC stage:III | albumin:39.90 | CA199:428.80 | CA125:5.66 | CEA:1.50 | CA242:- | CA153:7.49 Sample source:tissue | Gender:male | Age:61 | AJCC stage:IB | albumin:42.70 | CA199:64.85 | CA125:29.27 | CEA:7.30 | CA242:- | CA153:17.60 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:37.30 | CA199:1.81 | CA125:15.57 | CEA:4.80 | CA242:- | CA153:7.49 Sample source:tissue | Gender:male | Age:70 | AJCC stage:IIB | albumin:35.40 | CA199:669.60 | CA125:49.02 | CEA:5.70 | CA242:- | CA153:26.41 Sample source:tissue | Gender:male | Age:53 | AJCC stage:- | albumin:- | CA199:- | CA125:- | CEA:- | CA242:- | CA153:- Sample source:tissue | Gender:male | Age:61 | AJCC stage:III | albumin:45.90 | CA199:224.10 | CA125:17.47 | CEA:7.20 | CA242:- | CA153:12.95 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IIA | albumin:40.9 | CA199:225.9 | CA125:6.87 | CEA:1.9 | CA242:- | CA153:7.18 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:41.2 | CA199:272.3 | CA125:40.78 | CEA:2.3 | CA242:- | CA153:13.93 Sample source:tissue | Gender:male | Age:76 | AJCC stage:IB | albumin:43.4 | CA199:715.8 | CA125:15.58 | CEA:4 | CA242:- | CA153:9.94 Sample source:tissue | Gender:male | Age:63 | AJCC stage:IB | albumin:43.8 | CA199:576.8 | CA125:- | CEA:6 | CA242:- | CA153:- Sample source:tissue | Gender:female | Age:65 | AJCC stage:IIB | albumin:36.3 | CA199:130.9 | CA125:11.3 | CEA:1.7 | CA242:- | CA153:14.35 Sample source:tissue | Gender:female | Age:69 | AJCC stage:IA | albumin:43.9 | CA199:10.55 | CA125:10.3 | CEA:1.3 | CA242:- | CA153:12.36 Sample source:tissue | Gender:female | Age:74 | AJCC stage:IIB | albumin:28.9 | CA199:>1000 | CA125:- | CEA:19.1 | CA242:- | CA153:14.21 Sample source:tissue | Gender:male | Age:68 | AJCC stage:IA | albumin:48.6 | CA199:1.28 | CA125:14.78 | CEA:5.8 | CA242:- | CA153:14.57 Sample source:tissue | Gender:male | Age:58 | AJCC stage:III | albumin:40.60 | CA199:323.40 | CA125:11.70 | CEA:3.30 | CA242:85.28 | CA153:10.21 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIB | albumin:38.60 | CA199:925.90 | CA125:37.50 | CEA:6.50 | CA242:94.63 | CA153:63.36 Sample source:tissue | Gender:male | Age:44 | AJCC stage:III | albumin:46.3 | CA199:0.6 | CA125:12.11 | CEA:3.2 | CA242:- | CA153:16.02 Sample source:tissue | Gender:male | Age:56 | AJCC stage:III | albumin:43.10 | CA199:68.10 | CA125:- | CEA:- | CA242:- | CA153:27.20 Sample source:tissue | Gender:male | Age:64 | AJCC stage:IB | albumin:31.30 | CA199:102.90 | CA125:9.02 | CEA:3.40 | CA242:- | CA153:11.76 Sample source:tissue | Gender:female | Age:51 | AJCC stage:IIB | albumin:39.00 | CA199:201.60 | CA125:55.48 | CEA:1.70 | CA242:19.40 | CA153:10.58 Sample source:tissue | Gender:male | Age:49 | AJCC stage:IB | albumin:44.10 | CA199:1.23 | CA125:9.20 | CEA:9.30 | CA242:- | CA153:10.61 Sample source:tissue | Gender:male | Age:49 | AJCC stage:IIA | albumin:44.70 | CA199:12.42 | CA125:17.14 | CEA:1.20 | CA242:- | CA153:21.65 Sample source:tissue | Gender:female | Age:69 | AJCC stage:III | albumin:41.00 | CA199:155.50 | CA125:11.39 | CEA:1.90 | CA242:- | CA153:6.25 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IIB | albumin:42.90 | CA199:25.47 | CA125:72.19 | CEA:2.50 | CA242:- | CA153:15.04 Sample source:tissue | Gender:male | Age:53 | AJCC stage:IB | albumin:46.10 | CA199:12.74 | CA125:16.41 | CEA:2.30 | CA242:- | CA153:19.94 Sample source:tissue | Gender:female | Age:73 | AJCC stage:IIA | albumin:37.30 | CA199:15.84 | CA125:29.79 | CEA:4.50 | CA242:- | CA153:6.61 Sample source:tissue | Gender:male | Age:72 | AJCC stage:IB | albumin:33.60 | CA199:>1000 | CA125:18.67 | CEA:3.60 | CA242:- | CA153:7.28 Sample source:tissue | Gender:female | Age:79 | AJCC stage:IB | albumin:40.50 | CA199:1.03 | CA125:14.89 | CEA:3.50 | CA242:- | CA153:12.07 Sample source:tissue | Gender:male | Age:77 | AJCC stage:IIB | albumin:35.70 | CA199:157.00 | CA125:18.39 | CEA:1.28 | CA242:66.59 | CA153:- Sample source:tissue | Gender:male | Age:66 | AJCC stage:IB | albumin:36.70 | CA199:363.10 | CA125:13.99 | CEA:1.80 | CA242:5.07 | CA153:14.65 1-Methylhistidine 0.00797215 0.01770763 0.012516931 0.010668608 0.01465008 0.020012933 0.012457035 0.009266296 0.009529476 0.017311798 0.015617731 0.022213171 0.009409377 0.012391337 0.002996763 0.006577963 0.005570509 0.018531474 0.000769571 0.004039019 0.009600733 0.00873694 0.004554439 0.008306973 0.008792909 0.009730285 0.027802066 0.018769421 0.007269713 0.006799017 0.016719674 0.01122809 0.015053504 0.009330092 0.009696904 0.009431389 0.00145163 0.010313414 0.008453357 0.017821633 0.139274703 0.184910414 0.175103838 0.165907332 0.158389518 0.212432572 0.215785871 0.229759389 0.116410308 0.206482288 0.175728758 0.244737161 0.081457472 0.081931802 0.135388703 0.035511683 0.076875872 0.082272352 0.093459607 0.102766891 0.110733515 0.073685473 0.102530241 0.344266927 0.146822114 0.091212563 0.060128803 0.096167493 0.111021083 0.284539803 0.308555942 0.154731606 0.270261335 0.217304757 0.046303692 0.055442773 0.0590082 0.060933888 0.030548659 0.093857106 0.032661475 0.023166524 0.020624966 0.163729706 0.889378776 0.246186464 0.137806711 0.984979759 0.060104321 0.358914075 1.064364349 0.806922915 0.273996915 0.508820432 0.336257999 0.317223395 0.131068826 0.15363511 0.057971129 0.222420628 0.174794659 0.441190628 0.322899447 0.329130495 0.012572893 0.23566542 0.331977994 0.264940128 0.424224162 0.219715265 0.324333775 0.20362858 0.313997464 0.225758005 0.969774913 0.381570808 3-Hydroxybutyrate 0.277077714 0.447487918 0.251336824 0.153782403 0.172167568 0.184544823 0.269034307 0.151267684 0.165077169 0.146571721 0.172856825 0.31106347 0.125246392 0.255230136 0.174923211 0.194081401 0.121184761 0.354148777 0.130257132 0.20332076 0.212455807 0.261309944 0.125537906 0.409513129 1.168246198 0.252811881 0.275336626 0.134411052 0.129170273 0.116002713 0.207208083 0.269522385 0.198297704 0.230740139 0.248565608 0.148815348 0.418596909 0.162102933 0.63057161 0.187775289 0.497714497 0.139111714 0.148483485 0.346268551 0.195224373 0.534070096 0.306511367 0.276741197 0.388791083 0.288486586 0.19501599 0.699720008 0.820957492 0.290188607 0.378796779 0.438961842 0.253447572 0.193100311 0.131458659 0.174129263 0.268132632 0.16103209 0.290408358 0.186194542 0.130993361 0.411405369 0.388610122 0.33555757 0.223078536 0.513162992 0.337539767 0.112692552 0.245949666 0.498201684 0.311348863 0.196078405 0.342598216 0.235055247 0.131990035 1.002218724 0.295812398 0.133309878 0.496712046 0.20607402 0.239272491 0.184927089 0.202991005 0.164622623 0.344210708 0.200292713 0.235192713 0.181691616 0.20436646 0.285045559 0.161601196 0.164385595 0.458823182 0.268891756 0.335450505 0.427087094 0.208884756 0.316468278 0.150007085 0.103513019 0.398541953 0.371977628 0.156081252 0.086502564 0.330512017 0.207006701 0.13584389 0.274116428 0.128068624 0.147127528 0.174364308 0.187684524 4-Aminohippurate 0.007242957 0.00394309 0.004471528 0.006238043 0.006047142 0.004300443 0.008259269 0.007694567 0.006889918 0.011653056 0.005245101 0.006888355 0.005321786 0.002951022 0.019844815 0.017840301 0.007971533 0.007760019 0.006702443 0.006169927 0.004619056 0.003965629 0.005934635 0.005655864 0.007987065 0.003226894 0.005327296 0.006702751 0.007998291 0.006006121 0.001701278 0.004333307 0.006462638 0.007421991 0.00725595 0.007600238 0.005189985 0.007076391 0.005525586 0.008645262 0.009027087 0.020075585 0.014450839 0.013052407 0.0508919 0.027766627 0.016565765 0.016314982 0.015308936 0.013056447 0.030501098 0.053517503 0.005558007 0.008886411 0.009568574 0.003915954 0.007227051 0.018415573 0.007185694 0.007413307 0.008696325 0.017606281 0.006931271 0.02480369 0.009317662 0.01146341 0.019678636 0.013875512 0.015377742 0.029970929 0.046592948 0.008349471 0.024597691 0.029776273 0.002416744 0.018116257 0.008180504 0.003849018 0.00726619 0.006683974 -0.000875022 0.005036372 0.001688703 0.120081014 0.242667005 0.016565269 0.11631234 0.079449791 0.114504581 0.233674033 0.077280839 0.140687006 0.019715449 0.216371353 0.031453653 0.021574596 0.020645575 0.214647049 0.096074108 0.043426245 0.042453284 0.057413943 0.024913345 0.017826532 0.028925493 0.123032957 0.019979306 0.009741418 0.065202444 0.014075298 0.045281048 0.014045599 0.04915018 0.063707535 0.126955713 0.264498813 6-Methyladenine 0.030731061 0.043753554 0.059873744 0.027179127 0.038476415 0.030133669 0.043443061 0.03035762 0.028304524 0.02853887 0.045695982 0.03832116 0.023031477 0.031847512 0.097265989 0.011837345 0.043907909 0.024062326 0.020029599 0.023101621 0.038188338 0.025330349 0.031062469 0.033581876 0.027300046 0.023797312 0.009476744 0.006305995 0.001544283 0.052872781 0.039001638 0.015085606 0.01547597 0.023592442 0.036810177 0.030926228 0.024510746 0.023846888 0.044701021 0.036412606 0.050780562 0.035952911 0.014941439 0.037041983 0.038808517 0.044207849 0.035608748 0.026892504 0.027050671 0.026485034 0.032361269 0.015236088 0.025986948 0.044324308 0.020340075 0.036632902 0.029722429 0.03652446 0.040233959 0.034634593 0.039072325 0.041179852 0.02719653 0.017187748 0.013726385 0.064882245 0.025111384 0.024617718 0.023127202 0.02702879 0.032705956 0.023575574 0.032392041 0.016097139 0.031522634 0.020948737 0.027506221 0.032128644 0.026354417 0.042923348 0.014982855 0.012217915 0.036322474 0.037980976 0.024194046 0.035858501 0.040510375 0.008556712 0.054299169 0.03393732 0.031422347 0.037111795 0.019320665 0.028489413 0.029207262 0.023667431 0.028605256 0.031505235 0.087447649 0.033823506 0.039555768 0.015875276 0.017949308 0.017173577 0.062795533 0.038284518 0.026614144 0.018214748 0.0225954 0.024918369 0.021330561 0.028170005 0.051200496 0.055501615 0.034727388 0.024482099 Adenine 0.132775387 0.080403163 0.0814578 0.115771191 0.125859919 0.155235503 0.098107845 0.099561111 0.131786346 0.139423566 0.102906444 0.126639145 0.133964018 0.091104253 0.110843108 0.119631522 0.118742257 0.144666718 0.12672377 0.164643181 0.140246569 0.13156797 0.160444535 0.080174615 0.102635956 0.153530174 0.084809959 0.13688695 0.168828704 0.179089174 0.149645085 0.128193234 0.148403884 0.119471048 0.10653817 0.16700577 0.160153998 0.149611021 0.16565498 0.123040586 0.142672559 0.214173159 0.089914007 0.165340319 0.142695489 0.111107592 0.228772657 0.223884468 0.201801425 0.297774008 0.165879172 0.094270621 0.091073004 0.157021383 0.196369138 0.109133502 0.17551219 0.258535178 0.210933956 0.155949961 0.187782362 0.235427696 0.238557406 0.214274182 0.226815584 0.245861843 0.20155397 0.114409825 0.175098511 0.160449556 0.144843051 0.179545084 0.21664258 0.159258976 0.103286934 0.117676818 0.093712034 0.171196817 0.178138071 0.114234325 0.171028027 0.146595647 0.047567374 0.047977422 0.062206506 0.072267921 0.057843437 0.11484313 0.044559504 0.053650819 0.07965308 0.155942019 0.028787794 0.00396107 0.075620334 0.054480372 0.017683674 0.053186171 0.044214686 0.02813333 0.094056377 0.019657089 0.074296143 0.063996496 0.040455411 0.026734726 0.053737711 0.056263323 0.032275488 0.047274861 0.08923722 0.054147266 0.072917809 0.064129667 0.059350011 0.083253586 Adenosine monophosphate -0.00347389 -0.008608162 -0.006554565 0.046017051 -0.006288736 -0.004195813 0.022670043 -0.00533624 -0.004365971 0.01915116 0.039702189 -0.004736565 -0.003506854 -0.006985763 0.010163942 -0.004523691 0.021793547 0.017808697 -0.004941561 -0.002198987 -0.003481516 -0.004215954 0.026370331 -0.003655725 -0.007231592 -0.004771922 -0.005500956 -0.005747465 -0.003345863 -0.002788783 -0.002131189 -0.003309742 -0.00413464 0.020084816 -0.004830619 -0.00447296 -0.003175474 -0.00588555 -0.004128744 -0.004939883 0.013681376 0.066777501 0.078372069 0.057886517 0.023721431 0.05444199 0.00532684 0.033556031 0.057496299 0.087355645 0.041053454 0.027833324 0.060267768 0.068784402 0.097146837 0.037468101 0.071845676 0.042201473 -0.001017106 0.044045066 0.060641571 0.032771011 0.06078457 0.086898517 0.002697643 0.005379617 0.033052975 0.065454552 0.027337728 0.075152209 0.035456048 0.002841148 0.039852058 0.066311671 0.06920941 0.038535641 0.038570769 0.045041969 0.00098888 0.053261579 0.084955974 -0.00130201 0.042633148 0.025543839 0.004485867 0.036824272 0.0811564 -0.001410534 0.104332826 0.034838341 0.004214319 0.085382618 0.002358213 0.011100822 0.007010152 0.000580379 0.05005065 0.008212643 0.045872742 0.099497905 0.048232529 0.040605765 0.051871127 0.024842163 0.060408465 0.011414461 0.056384421 0.037078084 0.08622875 0.039034813 0.003160996 0.047862346 0.039337805 0.04764356 0.000902904 0.062914689 Alanine 3.192429116 2.899563806 3.375864592 3.935594181 4.44819132 3.547499236 3.37447718 3.55693963 4.689599542 4.225649186 3.477794157 3.305707002 3.688571539 2.952901638 3.332212221 3.703027104 4.25802074 3.105970745 4.64773307 3.451957283 3.648497848 2.911481713 4.084726702 3.550965778 2.90064911 3.728877686 3.256062425 4.586226313 3.637321424 4.267938733 3.599653757 3.455461837 3.421308932 3.369037804 4.171737802 4.963564652 2.982472552 5.198846215 3.376391983 4.574453458 1.868222445 1.960389643 2.55866076 4.148769106 1.507726928 2.109255911 0.344732654 3.409428503 3.733442378 1.852040854 3.781243724 1.7685746 2.483356602 1.783464615 2.383930777 1.959916237 1.824457321 3.738133203 4.823619415 3.0902883 2.659139683 3.881086827 3.83924322 2.836712062 1.955168391 2.411498744 2.945332474 1.932825022 2.615433266 1.901121927 2.296289382 3.266842587 2.630787953 1.735916672 1.754988485 2.079891768 1.34710586 2.460472378 3.840059971 2.093454451 1.743593154 2.624482557 1.539875746 1.580811134 3.020281123 1.998642638 2.192055477 2.696540681 1.704922926 2.399995924 2.417419356 4.329484337 2.534386027 1.837028328 2.309099524 3.051378498 1.700153152 2.410252389 1.250470069 2.091777172 2.245331027 1.537276419 2.574863819 1.595526393 1.464351984 2.050298824 3.019868507 1.703297398 2.332373569 2.270221109 2.486729625 1.736728455 2.768738313 2.507710922 2.973566578 2.7247749 Arginine 0.878253894 1.092322619 1.472216439 0.715424475 1.290985351 0.828753199 0.958072483 0.891506621 0.690948516 0.673373562 0.783501826 1.472140784 0.708003012 1.36337723 0.96615279 0.869939369 0.587795817 0.805617302 0.656192499 0.613303152 1.104743412 0.855912237 0.624743872 1.555611433 1.006808543 0.704601199 1.159870356 0.614901747 0.555877587 0.741340602 0.836111407 0.786199513 0.781576498 0.770647919 1.515538907 0.617259476 0.576949039 0.869155089 1.043310777 0.829361415 1.282115617 0.885749729 0.740153049 0.758431802 0.869819206 1.524189978 1.185844994 0.657342385 0.619498133 0.979790902 0.754105728 1.159079898 1.165536472 1.342794446 1.248008001 1.155838873 0.901932721 0.902719125 0.868401038 0.846584506 0.935249082 0.797093371 0.576157773 1.189749131 0.874039832 0.9907973 0.963316956 1.108370578 1.070213405 0.747129428 1.147664506 0.849458738 0.92577066 0.877118875 0.752462143 0.860940703 0.736782886 0.968181839 0.573818635 1.210963478 0.959303315 0.81111751 1.306969946 0.816538736 0.711537905 0.795010378 0.867053106 0.744891818 1.077108327 0.812224726 1.52137867 0.953114425 1.033469359 0.700124321 0.734787645 0.796846576 0.916524497 0.868149069 0.823434546 1.030162575 1.199085917 0.635031797 0.76030394 0.566196704 1.123273831 0.936377783 0.805035833 0.437770232 0.724949509 0.873676978 0.648150432 0.948104588 0.727764149 0.808235476 0.973897332 0.699171233 Asparagine 0.178558213 0.272509992 0.272635337 0.198854319 0.228484252 0.142873989 0.271871226 0.21984559 0.151668341 0.155358309 0.16214994 0.157372004 0.099122475 0.179976917 0.193272332 0.100186993 0.152208277 0.116562662 0.221126525 0.088806192 0.178903019 0.179472267 0.142371429 0.155587554 0.209219478 0.162105401 0.162821201 0.121459856 0.045808347 0.113114564 0.211830085 0.140569821 0.090742886 0.176939229 0.231058149 0.220241698 0.144655159 0.206490079 0.178896425 0.256477604 0.344944215 0.243251605 0.18700591 0.215531256 0.337574914 0.379133516 0.210655281 0.20752921 0.228153898 0.21497965 0.233897235 0.227725048 0.224263148 0.265206983 0.190300004 0.220219002 0.200574181 0.236696386 0.252192144 0.193548904 0.235384225 0.279024597 0.193956629 0.224420718 0.183338465 0.189503834 0.219211516 0.198804937 0.220540351 0.165496666 0.264175021 0.175830405 0.207400993 0.16896788 0.188238655 0.190190856 0.1699546 0.223150615 0.186759402 0.255564787 0.149398876 0.162332415 0.290486638 0.328139834 0.183731236 0.252245098 0.301347053 0.200584285 0.29636182 0.292437612 0.351438416 0.520657965 0.215510182 0.128859472 0.152903375 0.257997508 0.224002619 0.24685191 0.204622633 0.267014841 0.416816971 0.225934971 0.208183345 0.139387717 0.349693702 0.234876063 0.205557728 0.119754146 0.172748337 0.226565263 0.302437058 0.295630258 0.526260261 0.569653182 0.26755689 0.191239003 Aspartate 0.338043795 0.271337718 0.343276197 0.353480221 0.391894428 0.237168919 0.273028273 0.356631298 0.591178781 0.225970955 0.19777914 0.41611057 0.316788508 0.275405276 0.575801481 0.340385262 0.291685049 0.380444014 0.608097433 0.319105856 0.33956694 0.204119128 0.36481697 0.565799745 0.460501661 0.213938196 0.229428858 0.426488123 0.228278793 0.360485068 0.52236521 0.378376629 0.328898153 0.174087766 0.297380851 0.236847438 0.27490455 0.619213885 0.24907947 0.554486465 0.513579092 0.485049254 0.313202307 0.412041761 0.270323947 0.399822108 0.551069407 0.330144812 0.370634689 0.394661969 0.379733765 0.388851284 0.405034982 0.428013389 0.495761951 0.365204442 0.388621789 0.508825719 0.315082963 0.555597129 0.44676706 0.422823432 0.527611233 0.385744497 0.329237699 0.498699139 0.502121536 0.441036052 0.492389924 0.378210372 0.483718302 0.321274897 0.307360068 0.334924449 0.35989113 0.362335568 0.231566591 0.451754722 0.323895307 0.576488536 0.230927464 0.202054102 0.285447016 0.3142901 0.258758375 0.298024115 0.291983604 0.317833096 0.33102244 0.305117683 0.2906081 0.343865808 0.38350081 0.29484775 0.335291408 0.307527931 0.242065755 0.287320157 0.298392069 0.357646316 0.27519321 0.147807665 0.320804249 0.274610857 0.343804419 0.245951791 0.398092355 0.106656727 0.198841064 0.205182977 0.277421298 0.220650903 0.284229576 0.348629809 0.213725082 0.36396042 Betaine 1.308984579 1.936226917 1.047911792 1.792985504 1.652581659 1.174458066 1.52685504 1.136889488 1.540577096 1.374094584 1.827010624 1.055612884 1.954837465 1.7704914 2.213321339 2.006434273 1.214979353 1.683725004 2.067126846 1.114560672 1.442994479 1.328006276 1.965353699 0.86828928 2.039899105 1.268588141 1.485197785 2.03462976 1.615877586 1.652683178 1.911190409 1.525726765 1.814057241 1.455807427 1.102923311 1.764835796 1.687942651 1.638560366 1.927637254 1.196629317 0.130542414 1.637281677 1.789195216 2.098159782 3.05296274 2.675406996 0.118934619 2.384210303 2.395313454 3.264583866 2.148411754 2.338571272 2.137472222 1.774673702 3.039883336 2.126290163 2.654175953 1.994528409 2.108454347 2.464915995 2.006061499 1.774296395 1.640389012 2.074617215 1.644086377 0.140471564 1.807256907 1.432589223 1.96281527 1.685543133 2.725757268 1.314244788 2.976813419 2.575396042 2.584890587 2.388523076 2.180191721 3.289232909 1.886252967 2.574445022 2.04195703 2.814686125 2.24367245 1.384431241 2.399099874 3.197473003 2.395575269 2.004486682 1.741979391 2.320154549 3.660989324 2.130565 3.618468102 1.501509524 3.088592568 1.735886873 1.298609752 2.257729686 1.317785679 1.350159139 4.056857839 1.148030888 1.794899108 3.238980146 1.721584317 1.892148483 1.847849866 2.622256659 1.543679704 2.233594322 2.188873486 1.439884299 2.270628153 2.220312633 2.261811884 2.701437698 Butyrate 0.464065745 0.482639594 0.77937922 0.330146803 0.670288231 0.377716244 0.448139959 0.368370549 0.293547555 0.299466472 0.330163696 0.795521271 0.262365713 0.594636756 0.461727409 0.362262831 0.258817569 0.407538915 0.292324377 0.258868383 0.521798411 0.398117857 0.276415206 0.76860174 0.403258686 0.276578781 0.464649085 0.225148367 0.220968561 0.345101686 0.340769943 0.350572045 0.308504028 0.368226641 1.086540336 0.253147283 0.258152847 0.397705662 0.516492906 0.383645648 0.524441299 0.331753771 0.23085598 0.326788785 0.30281295 0.623108918 0.299128405 0.234639685 0.238334006 0.343590119 0.269756297 0.460596837 0.337081038 0.489449028 0.431523675 0.466274252 0.277651382 0.350909135 0.396818157 0.383367385 0.302643299 0.410040739 0.199518734 0.47003248 0.256777484 0.25669552 0.306564813 0.318413815 0.305135603 0.205027976 0.357762306 0.299587767 0.233276943 0.224622869 0.26802983 0.2654783 0.24324524 0.294465522 0.245427843 0.448642984 0.420272049 0.233719433 0.546019119 0.303329864 0.230778964 0.229217819 0.266352677 0.278847742 0.388272542 0.305941728 0.568634243 0.276136689 0.285205949 0.239298167 0.304550831 0.266183392 0.243172944 0.35496681 0.329866343 0.331161259 0.363577875 0.262384784 0.227797963 0.171344204 0.481373361 0.353727633 0.234879513 0.144312814 0.29125217 0.283692899 0.202596479 0.26036769 0.215769323 0.218864056 0.31216959 0.239210085 Choline 0.408730143 0.416896272 1.017030661 0.676683564 1.703485624 0.449229568 1.782138794 0.535212295 1.343197132 0.430120534 1.267316891 1.429305367 0.202163351 0.586047747 1.099993739 1.623393175 1.179509559 1.733301861 0.41581905 0.772615071 1.837313265 0.369375369 1.593964523 1.384206161 0.54415011 0.476099922 1.540877056 1.94990542 0.590816778 1.490150616 2.333709304 0.39484585 1.681630311 0.352641968 1.362374844 0.359851578 0.367347554 2.006066847 0.315056483 0.431244292 2.744954662 1.351967953 1.571332013 2.352747054 2.61870562 1.433997739 3.572764681 1.44747743 1.731285211 2.529582465 1.598086079 1.353924459 1.897958011 1.013390141 1.722221276 1.487817196 1.620165793 1.922983645 2.128950528 2.270680995 1.640961444 1.55872648 1.345367849 1.534070176 2.005141339 1.87827038 1.373606234 1.169519958 1.897709298 1.362204132 2.093399835 1.746982224 2.378856508 1.224742048 1.291322462 1.797979219 1.139086919 2.179660758 2.142360242 1.727255151 1.81218892 2.727271655 0.828388109 0.726793424 1.406376011 0.795193513 0.64254503 1.738352392 0.901046942 0.911129405 3.309653846 2.462833431 2.658991872 1.005161918 1.316305153 1.429248424 0.632481568 0.913566671 0.516214594 0.510958696 1.747834754 0.688018999 1.574593903 2.001566888 0.912031883 0.609402775 1.651196159 1.433405878 0.700607856 0.982434697 1.033761022 1.161289696 1.199719479 1.940465786 1.744276218 1.948937675 Creatine 0.593535974 0.701975374 0.692805056 0.615850887 1.294101394 0.814795702 0.612985311 0.501770214 0.518193694 0.581340944 0.64717176 0.61753403 0.867402673 0.881954134 2.029795532 1.354957605 1.626038819 2.123836109 0.493436469 1.130486526 3.234495715 0.510237178 1.882471547 0.971837079 0.64420749 1.155445954 0.567242196 1.680407586 0.694619554 2.137078801 1.015217082 0.62195686 1.319035182 0.581389875 0.997702787 0.538548535 0.68863533 0.638937464 3.865134244 0.791994829 0.172926946 0.762689324 0.9173898 1.638701256 0.888915947 0.586687952 0.156837416 0.628506017 0.971271321 0.71834775 0.746469748 0.736405811 0.957491008 0.545582378 0.773341236 0.808696041 0.712656373 1.13284624 0.600862626 0.846420225 1.624369159 1.29676971 2.146786419 0.519802698 0.636019351 0.199697815 0.867704619 0.570097656 0.804190898 1.190569118 0.912266656 0.964948523 0.887593104 0.621200184 0.730672794 0.582988577 0.710917735 0.6799618 0.462790011 1.317173521 0.709198789 1.541076036 0.735315534 0.882808024 1.43564472 1.730494023 1.56435959 1.739438057 1.000428268 1.315099853 1.490617895 1.852236011 1.858708549 0.97091579 1.910937347 1.110847017 0.5690967 1.315315802 1.125009346 0.874773911 1.65199912 0.681635891 0.957038594 1.914834281 0.805985271 1.181283556 1.188353451 1.987132296 1.033634373 0.987747389 1.607079415 0.498090993 3.297787799 2.838296115 1.315958889 1.8265446 Cytidine 0.022708415 0.003470202 0.007211415 0.013345514 0.011858546 0.00730646 0.041120354 0.019090986 0.091478567 0.022584586 0.002153002 0.005263873 0.021246019 0.00184584 0.032265666 0.025750594 0.006843142 0.083091051 0.015827657 0.013558157 0.008569969 0.045199014 0.029045535 0.013230963 0.009152236 0.015074134 0.069405259 0.010402489 0.02187531 0.019037081 0.004189837 0.007062939 0.02750428 0.014635505 0.037867085 0.02235492 0.008339294 0.084388406 0.017754986 0.022025602 0.011011847 0.008020131 -0.000265915 0.02878017 0.003534246 0.017148971 0.002387669 0.002294808 0.003422487 0.002475434 0.005686463 -0.001385164 0.00154947 0.005665872 0.002551399 0.00090956 0.007885231 0.000464331 0.002324873 0.021265203 0.002165827 0.000708611 0.014476317 0.006545909 0.002414501 0.005825717 0.001641279 0.000356854 0.001415833 0.008264852 0.00285707 0.001563992 0.006064408 0.004892695 0.001229138 0.002201961 0.001794784 0.012966371 0.002916037 -0.000196702 -0.00180053 -0.007160077 0.002114734 0.002293332 0.008217304 0.004500993 0.002063095 0.008821705 0.001409456 0.003886906 0.007793043 0.006025413 0.001993934 0.004944446 0.003312427 0.002738518 0.000983927 0.001890448 0.001573911 0.00152282 0.002129066 0.002752688 0.002336323 0.002882996 0.001918057 0.002409522 0.002613121 0.002630264 0.003100924 0.003263843 0.002643182 0.002456345 0.003494686 0.003740776 0.009906054 0.002470137 Fumarate 0.021557618 -0.006536396 -0.004542772 -0.002244159 -0.004657384 -0.000580949 -0.004094582 -0.003524657 -0.003749415 0.028964185 -0.003012765 -0.004714173 0.02069189 -0.004534028 0.001936392 0.01541244 0.027751863 -0.005475321 0.025325871 0.035805091 0.021391007 0.022508313 0.023735742 0.024823871 0.022349165 0.03528335 -0.00815741 0.027880229 0.036774205 0.020795233 -0.00550383 0.02110267 0.035662183 0.021821113 0.005478827 -0.00220944 0.026192329 0.017563678 0.014554226 0.034958543 -0.001453379 -0.002750091 0.020707688 0.095798332 -0.002798667 0.012035345 -0.003155197 0.112323667 0.091851836 0.034720474 0.094221561 -0.004951689 0.021106375 -0.000345591 -0.004636995 -0.001960325 0.04709953 -0.001155683 0.090357641 0.020433403 0.051667337 0.068166895 0.104903383 0.033982329 -0.00185305 -0.0028972 -0.00116841 -0.001636531 -0.001629351 0.031666064 0.030078185 0.058512245 -0.000311328 0.015038527 0.029342711 0.005884699 0.024358955 0.038762911 0.082678043 0.018299401 0.018817728 0.008790823 0.004960233 0.015056986 0.018868903 0.017515314 0.014473951 -0.007001074 0.012515966 0.034404966 -0.006549468 0.0134885 0.035804781 0.000819197 0.070304549 0.017340076 0.003631325 0.031232336 0.00938692 0.020375056 0.016499248 0.024010728 0.022576821 0.033343406 0.001260811 0.028668045 0.018567739 0.032524829 0.019650578 0.022548246 0.026317609 0.00574539 0.0164522 0.021882147 0.0165025 0.027076753 Glutamate 2.598665636 2.812344935 2.064460921 2.826455585 2.080981497 2.723859851 3.366053466 2.399207573 2.896658661 2.372945132 2.830682493 2.363510585 2.35235528 2.825133012 2.580942465 2.131708053 2.685813539 2.436481145 2.875972917 2.737229478 2.186653899 2.793748367 2.849000025 2.55085007 2.872490355 2.879910203 3.180847481 3.250943217 2.131069996 2.945486498 3.141860701 2.719638008 2.829295601 2.901191103 2.064849883 3.136199903 2.672809031 2.744700349 2.652866173 2.913861078 0.777801371 0.580096433 2.265592654 2.281736529 0.684910966 2.084511348 1.02775274 2.52954888 3.018022641 2.864319721 2.077527069 2.502766188 2.159827243 2.139553445 2.763364661 0.707760507 2.560656851 2.628331352 1.964507839 2.245995462 2.329185522 2.044536181 2.721885686 1.95269131 0.625164275 1.322669564 0.633913441 2.380550567 0.601972238 2.068878886 2.642357881 1.230743252 3.644143854 2.216367133 2.625157263 2.268680943 2.126549048 3.316721519 2.708061042 2.617876498 1.96508507 2.504221165 2.105009987 1.247547523 1.987886898 1.457226342 1.473160106 2.131563828 1.265407047 1.37122087 1.809577053 2.550289687 1.799860467 1.340859024 2.139116731 2.181033339 0.906756857 1.303105138 0.77940127 1.05568586 1.794675425 0.850795065 2.252142774 1.609742747 1.268433732 0.942142575 2.522072088 1.300524242 0.785930061 1.630818863 1.609678758 0.949817358 1.532395653 1.505852774 2.164726603 1.54763316 Glutamine 0.943000995 0.902182336 0.743296007 1.068646555 0.978329093 1.288417881 1.115902886 0.865689047 0.989955863 1.044926102 1.313816884 0.921629939 0.684197485 1.220324464 1.125964371 0.900564799 0.984547044 1.09454292 1.552148731 1.207155226 1.086966068 1.287598021 1.261926205 1.022356536 1.070501758 1.187071485 1.034941756 1.438801823 0.821610108 0.945430873 0.569820063 1.198075112 1.084868552 1.181069043 1.073886224 1.056838254 1.761346643 1.303925864 0.994138373 1.214258372 0.79524724 0.771478456 0.582773535 0.735924828 0.942993402 0.669896521 0.747201126 0.642911136 0.759545391 0.497580489 0.701571013 0.561948336 0.606506016 0.401692318 0.44522995 0.809584935 0.499026564 0.289507881 1.387942285 1.023476564 0.438613789 0.553534907 0.785247523 0.548567713 0.621353041 0.866893195 0.739486219 0.183724492 0.576618757 0.265637548 0.328544586 0.492143614 0.301049947 0.352011706 0.643089791 0.40655029 0.482536222 0.540659403 1.498586515 0.656025878 0.447174684 1.240017968 0.5413431 0.603572967 0.848177904 0.499532649 0.721688827 1.026084891 0.567405764 0.795529496 0.673142283 1.024760909 0.61490841 0.402906012 1.522289978 0.50667477 0.47798618 0.655405653 0.343134236 0.414473869 0.799897814 0.505831319 0.585907613 0.397741645 0.814963134 0.524246647 0.831675346 0.430003035 0.415979427 0.660105832 0.621500094 0.513095193 0.724882236 0.828730645 1.14278451 0.617375852 Glycerol 4.057041983 2.233491604 2.714359704 2.552278075 1.996514286 2.463607283 3.009338661 4.9530267 3.103960997 2.938997043 2.564021528 2.810999297 2.421356957 2.097973588 2.864438523 4.409863479 3.053707122 3.242334392 2.847239036 2.722914374 2.748986134 2.460541818 2.775950159 2.359141639 3.494800202 2.19231314 4.020432969 2.854481831 2.916829099 2.977873925 1.983709763 3.05912651 2.745016144 2.196258132 2.149194199 2.119856969 2.703506246 3.274591143 1.883476734 3.039918991 1.8841145 1.988545305 2.887417815 2.391002746 1.864173412 1.625832689 2.149296289 3.82967608 4.407346308 1.869456662 3.806599724 2.23994114 2.065626492 2.165827379 1.482967826 2.350034772 2.512250249 3.570113553 3.724391012 5.021317212 2.904372348 4.72727097 3.47582017 3.098135585 2.093299105 1.758439271 1.841114883 2.777950107 2.490571686 1.783533282 1.971401944 8.227677315 2.090538246 2.194670703 2.24636224 2.366775054 2.346035538 2.345906706 7.250835752 2.416880444 2.037197903 2.562707969 2.088530254 3.540125215 2.13110938 2.523527702 2.535845001 2.007752671 2.466142951 3.169561486 1.831033295 2.384229933 1.926776398 2.754559494 1.694617684 2.881491677 2.30041764 3.321345275 2.64825965 2.231120929 2.058571958 3.316851518 2.905990976 2.808832915 2.57776913 2.404903841 2.912573977 3.902698399 2.411738269 2.599517589 2.782042556 2.192162685 2.07683433 1.744210775 2.088371151 2.452534917 Glycerolphosphorylcholine 4.077325889 2.563780254 2.722126829 3.408092808 0.253581253 2.738071819 0.261751806 3.903043998 0.234391433 3.779657184 2.864851565 0.325381183 4.397418815 2.346003076 0.266324039 0.287736431 0.262505158 0.322173861 4.190722124 3.063902969 0.236545333 4.944928255 0.281676441 0.253496179 2.246649365 3.206777291 0.237682249 0.323301947 4.471950308 0.237384832 1.919990833 2.51405393 0.272898371 5.001807955 0.283790675 4.287755264 4.26885619 0.234500653 3.24758247 3.386416565 2.074054778 0.215037424 0.268765969 0.215235797 0.277849616 0.229506729 2.129340105 0.286446536 0.238080629 0.2439304 0.246432997 0.199027942 0.238944985 0.288447557 0.234748067 0.236085469 0.231178442 0.268480377 0.275083247 0.285624391 0.225810423 0.235503338 0.201389784 0.336978388 0.225440249 1.484671934 0.355621775 0.212732217 0.341339336 0.154140479 0.249363135 0.1728231 0.274201211 0.190372468 0.166310786 0.20356372 0.113639752 0.228067162 0.327163435 0.213338383 0.188418696 0.24637904 0.223267425 0.163314408 0.2411513 0.152019925 0.131854429 0.118203536 0.215793096 0.229363581 0.27229907 0.395628745 0.247975704 0.071677843 0.094915041 0.240306679 0.15946081 0.166764193 0.138254101 0.205689067 0.271290689 0.113947941 0.204716296 0.269332928 0.156951795 0.127048759 0.229735124 0.20496778 0.108095136 0.303877987 0.219485962 0.212103905 0.151259695 0.163089329 0.224061043 0.220022322 Glycine 1.636515292 1.378078056 1.118999892 1.851747374 1.487242303 1.645519723 1.670732012 1.645239607 1.784906015 1.812919343 1.344402604 1.637547208 1.624105272 1.396688058 1.366446046 1.620508335 1.963847865 1.887692639 1.712125497 1.864789366 1.527517465 1.724624497 2.017596908 1.311678962 1.853830821 1.993429254 1.379271268 1.633641825 1.978351378 1.868904086 1.78786846 1.898153997 1.647043826 1.770633253 1.142791279 2.213838807 1.976695859 2.109736537 1.586825774 2.183428179 0.501160871 1.152115229 1.718619001 1.705318548 1.094694217 1.183673193 1.16047185 1.776321885 2.157828034 1.254134106 1.692487523 1.102990254 1.128867487 0.96975499 1.160716799 0.993019807 1.260726791 2.057531556 1.673918512 1.505515625 1.560871594 2.51409372 2.02194253 1.192225538 1.307473283 1.682772614 1.468351455 1.22722708 1.265405822 1.531794011 1.320759464 2.500011217 1.685971405 1.224967359 1.15426153 1.300947169 1.021054746 1.642896991 2.638130201 1.27445348 1.030911088 1.433758279 0.822285436 0.73044559 2.093326292 1.150094519 1.278993917 1.264510411 0.767919615 0.897877007 1.055311836 1.715082915 1.468500883 1.009756482 1.395413443 1.543484931 0.81498732 0.857494346 0.612920175 0.790477264 1.110404075 0.64007356 1.724453925 0.934089484 0.688239301 0.731698105 1.342466982 0.803713741 0.814019466 1.093682843 0.944195362 0.855536764 1.235868134 1.521999637 1.620712468 1.200694786 Glycogen 0.029107083 0.271335941 0.288871592 0.082178036 0.071878419 0.125091138 0.056756889 0.029425303 0.072493289 0.127953253 0.2000574 0.022879482 0.083310339 0.155999596 0.115940032 0.041799742 0.403625249 0.052391957 0.100140834 0.129551819 0.047845024 0.057239403 0.047901203 0.124743791 0.136823426 0.099766639 0.110328481 0.090216783 0.122303092 0.067969116 0.091111082 0.108082487 0.196000607 0.04940221 -0.001528395 0.051092924 0.057921052 0.043475555 0.031453718 0.03202544 0.20298887 0.732889534 0.894296264 0.070700483 0.306225209 0.226840068 0.408858954 0.147073011 0.0408245 0.277550563 0.038404582 0.28723253 0.426083767 0.253626271 0.099538601 0.550933281 0.456575419 0.193257136 0.042628184 0.050177891 0.118185897 0.097168078 0.109490967 0.206106627 0.306272713 0.419979568 0.116889658 0.221168739 0.505979834 0.460323792 0.265923362 0.0861428 0.030531819 0.48177042 0.594120678 0.330759602 0.436247661 0.216056383 0.090512106 0.151273924 0.285013403 0.047444726 0.536220496 0.121380842 0.117287671 0.537183825 0.422605871 0.328263991 0.144257837 0.695935599 0.036122991 0.039809023 0.070721631 0.033478434 0.14114917 0.500955402 0.026904226 0.499835639 0.125315629 0.139198793 0.047004399 1.030664265 0.886939233 0.567476056 0.081701116 0.106378034 0.491474636 1.254925184 0.186718476 0.424964519 0.478189447 0.026562899 0.497940615 0.210646432 0.086373625 0.093672388 Guanosine -0.001709372 0.012481872 0.000582027 0.026781768 -0.000430683 -0.001082558 -0.001052358 0.019855173 0.025615639 0.000755159 0.025031907 -0.000474046 0.024026454 -0.000854194 0.027094757 0.023530739 0.018634645 -0.002582206 -0.000707737 -0.000849229 -0.000518702 -0.001130808 0.026594072 0.001422787 -0.000980905 -0.001669381 -0.004669802 -0.001771644 -0.000849271 0.025033234 -0.001484968 -0.000514909 0.025538074 0.015042016 0.010787519 -0.001361798 -0.000677448 -0.000973031 0.01969902 -0.000912517 0.024555709 0.036287741 0.042264157 0.026554027 0.021154386 0.021477634 0.022119071 0.028671062 0.046488743 0.08684159 0.034164639 0.012882403 0.021621928 0.034170922 0.037323069 0.021426757 0.03044992 0.042193474 0.038528085 0.03948275 0.027044318 0.028241628 0.047029496 0.029826269 0.041945249 0.02682958 0.029253254 0.029467768 0.021328732 0.080535978 0.022688117 0.065124048 0.038462504 0.026222756 0.017529464 0.02385948 0.026326795 0.023021705 0.03143469 0.02769649 0.035526158 0.020311727 0.026546568 0.027401224 0.046909509 0.043251022 0.047583804 0.076642361 0.055889164 0.039900463 0.079625881 0.055505531 0.059782283 0.023518809 0.053215551 0.034952301 0.027004401 0.054973633 0.029455144 0.042967129 0.064602443 0.028746439 0.035903785 0.055371893 0.049656413 0.049337619 0.034953722 0.040857041 0.044402681 0.029859892 0.063294851 0.04293093 0.070991301 0.055914827 0.052826018 0.051473772 Histidine 0.011224257 0.000452047 0.001821627 0.005347565 0.004830211 0.005029455 0.011272888 0.006333148 0.018083502 0.008319967 0.001548597 -0.002554397 0.010931577 0.000346338 0.017255653 0.008786755 0.002661437 0.007072159 0.007640015 0.004361074 0.003294317 0.007808184 0.013831491 0.005970923 0.003623174 0.005671365 0.001549318 0.004989044 0.014138192 0.010077595 0.00082867 0.003626038 0.010817874 0.004239472 0.012163759 0.011398117 0.006315564 0.008685128 0.010771929 0.00685378 0.003699832 0.002911862 -2.70E-05 0.024344832 -0.000425133 0.000128461 -0.000988023 0.000550197 0.000945077 0.000198085 0.004591513 -0.00086282 0.000496447 0.000394492 9.90E-05 0.000635314 0.000212895 -0.000683976 0.000642686 0.001392972 0.000353551 0.00023375 -5.46E-05 -0.001956875 -0.000264923 -5.67E-05 0.000830365 -0.00081646 0.000513188 -0.000306121 -0.000150956 0.000422381 -0.000140188 -0.000707955 0.000720229 0.000336381 0.00081172 -7.10E-05 0.001232512 0.001535848 -0.002809173 -0.003218195 -0.000412478 0.000472093 0.00102558 0.000163738 0.000230999 5.81E-05 0.001035951 0.001397459 -0.001171166 0.000513352 0.001198907 0.001256366 -0.000332184 3.51E-05 -1.84E-05 0.001012026 0.000642359 0.000913301 -0.00073219 0.000259913 -8.09E-05 -8.84E-05 0.000678292 0.000843263 0.000159235 0.000185977 0.000229621 -0.000281414 0.000632479 0.000480763 0.000693068 0.000420302 -0.000630853 0.000860744 Inosine 0.186928079 0.16955889 0.061933655 0.154007292 0.100977875 0.138863518 0.136208539 0.147336147 0.189524153 0.15312559 0.13222376 0.117346985 0.184265623 0.105070606 0.210040871 0.134947347 0.154719018 0.174491356 0.174004988 0.159787573 0.114874456 0.193061388 0.172699696 0.096347497 0.146399865 0.149426386 0.093674596 0.138959338 0.143864081 0.158146733 0.115925593 0.162417429 0.143472018 0.150899573 0.060459252 0.113774744 0.159919978 0.13835562 0.111166042 0.174558569 0.118629005 0.116543338 0.11249548 0.148395819 0.100419664 0.096751852 0.096918761 0.187560966 0.221970726 0.042480986 0.192529054 0.104681896 0.031535919 0.137111394 0.083470698 0.0584127 0.08217027 0.104858013 0.098462053 0.196222383 0.129187159 0.158181971 0.203869762 0.036852437 0.084174073 0.054978641 0.089953639 0.018321206 0.039860883 0.012899528 0.029883701 0.029880025 0.032057272 0.022179122 0.142054037 0.031824054 0.077060637 0.112221858 0.156688839 0.043517184 0.1220899 0.125743032 0.160833513 0.062835634 0.07187319 0.080515067 0.076437138 0.045644071 0.05233057 0.084747599 0.060974126 0.053830862 0.022513435 0.002595441 0.059743688 0.116244175 0.020497631 0.05096052 0.015769864 0.020729168 0.045130484 0.014136802 0.115966665 0.057404014 0.054051168 0.037628773 0.18117632 0.063148064 0.023213782 0.104580804 0.035669165 0.037331958 0.080888278 0.060504507 0.10184821 0.1086998 Isoleucine 0.253261156 0.294446456 0.565437203 0.246805994 0.57721726 0.304942899 0.309335303 0.292782149 0.242687414 0.214023895 0.196700834 0.596875103 0.203811205 0.438823095 0.278467018 0.284924778 0.165257079 0.256550543 0.202159542 0.256262191 0.468078423 0.294908295 0.228814042 0.770185806 0.315910649 0.232408963 0.33259284 0.234978492 0.212806723 0.312154264 0.290113067 0.270412071 0.225416481 0.237522184 0.789040495 0.238410951 0.254183343 0.357099342 0.382686915 0.273493664 0.386756062 0.33920995 0.406482904 0.282615504 0.311561848 0.516951572 0.291875065 0.22470407 0.228543431 0.384318494 0.24721335 0.316737728 0.384521548 0.427637732 0.344540936 0.415365332 0.289116828 0.297152725 0.380563187 0.21424591 0.353691907 0.285497126 0.196294114 0.312822712 0.339818631 0.345258784 0.394776987 0.431451875 0.335048883 0.365788276 0.429627901 0.399634124 0.442871662 0.321659346 0.244375059 0.425199679 0.280044486 0.315163185 0.204863467 0.445202582 0.326278666 0.304937887 0.343217295 0.396959766 0.340876011 0.38559319 0.521214877 0.361203251 0.607862273 0.39918974 0.523767009 0.373479292 0.470607033 0.59504013 0.461910967 0.480456282 0.551050863 0.43891145 0.437579563 0.717053371 0.536297031 0.387360161 0.401763528 0.240866154 0.49346947 0.537977275 0.403479615 0.187541085 0.416578792 0.376639146 0.340892337 0.497110282 0.334709338 0.380597111 0.447673495 0.344761718 Lactate 7.929222533 13.35550769 8.264250685 11.97378754 9.648515293 12.21714305 9.649129815 10.48870135 11.25489573 10.99608082 13.08982016 7.900715318 10.74725324 11.63792633 6.998119388 10.10574067 11.27428045 7.785523578 9.939751453 12.45617304 9.57351448 9.377470531 9.272140612 6.203173869 10.80261223 12.27338028 9.424802101 11.85313166 11.47827452 9.237497506 17.35567067 11.49554758 9.148968213 11.21887789 7.812838256 14.46337544 13.4373137 10.37250039 8.335482488 10.16153745 20.22045659 22.58662125 16.67240877 9.051983084 14.68352183 13.68840928 16.12743804 8.862696713 7.834285671 15.67396586 11.03386856 19.13238254 15.15083455 16.38317072 18.52539208 13.08885445 13.34427434 9.952905298 9.788266475 6.491915166 11.78633992 8.144548763 9.930546141 5.148114578 18.81175221 15.25982341 16.20469746 12.96963601 9.733631898 25.19894247 14.8116754 7.53328892 17.56999837 17.49773407 16.57317458 21.47079829 18.44242066 13.79876921 8.728681622 13.82405511 21.9008349 11.16738276 18.66062147 8.558339191 18.1134545 13.11837937 12.6425737 18.95027675 10.08138125 14.94961292 8.867415069 10.00048797 10.71021641 3.314041432 20.72498142 16.2233919 4.590520586 12.80298179 5.563365368 6.619852302 13.78867073 10.87579202 16.38402343 18.62236875 9.612426044 9.445459036 14.31427166 16.15312309 10.2813908 11.37770147 16.04720327 5.436456646 18.1757386 19.49848402 14.719886 14.95402535 Leucine 1.562807488 1.569489725 3.051544787 1.214500165 2.927787464 1.549982223 1.572830121 1.618514017 1.285944096 1.262576373 1.278384844 2.963848188 1.241705101 2.355992007 1.612504105 1.602279659 1.004407419 1.496368953 1.149841348 1.205074903 2.484171808 1.605048717 1.257848875 3.968192239 1.902928181 1.307875052 2.457652223 1.239872982 1.149600465 1.586231934 1.67934536 1.570196048 1.302193595 1.287678453 4.176742459 1.246307771 1.306669343 1.766636256 1.959512188 1.536060853 2.29918775 1.671633327 1.897137795 1.603821384 1.34826742 2.661239736 1.602733825 1.33107265 1.289497009 1.825655298 1.58616326 1.844329481 2.03538538 2.375659074 2.000492933 2.247770218 1.581529751 1.632746177 1.92007439 1.247846802 1.981756759 1.43854891 1.204626064 1.995352839 1.648267975 1.807218551 2.086019499 2.267338709 2.082987045 1.670178865 2.339959146 2.474211319 2.167045638 1.699081091 1.258594523 2.062266969 1.294169724 1.731322875 1.132765406 2.238833344 1.771262329 1.701017284 1.942832779 1.801902853 1.601775835 1.971286826 2.441257119 1.742763242 2.609031094 1.936920151 2.774082098 1.769460911 2.483613015 2.367778046 2.014175937 2.398777836 2.420090905 2.133547269 2.047280664 2.996867454 2.73819992 1.719243844 1.895822442 1.268563589 2.170922737 2.341809751 1.924008899 0.968172599 1.830676189 2.057021032 1.625266616 2.322148593 1.526353771 1.753510905 2.210627135 1.616393374 Lysine 1.535480997 1.79698013 3.327422243 1.366485956 2.651739698 1.54148416 1.694589753 1.697789216 1.326092261 1.410236864 1.353793203 3.027046993 1.522589731 2.649163035 1.765702176 1.854500992 1.143249664 1.535420673 1.201656648 1.354348392 2.207129653 1.589338562 1.24227976 3.391652233 1.804484093 1.486807712 2.178699144 1.24721685 1.165274648 1.558010772 1.927452276 1.657687144 1.553742106 1.348103801 3.981009073 1.280305147 1.281225643 1.755480719 1.983823912 1.500320671 2.315995971 1.678990105 1.779237843 1.911673138 1.547024084 2.602663866 1.702391573 1.708469697 1.595599719 1.959729056 1.946224281 2.068789486 2.504984266 2.337472376 2.596908468 2.240509659 1.946318108 2.047133067 2.301078943 1.535827535 2.151797009 1.785163116 1.469702724 2.601994915 1.754799096 2.12382838 2.09271885 2.670233983 2.54941505 1.874932846 2.455749229 2.3941873 2.142724262 2.033705517 1.487051509 1.96655124 1.447621115 2.046577817 1.283719624 2.44094914 1.707941601 1.811239416 2.143051628 1.855680464 1.688602248 1.823544868 2.042551074 2.090813185 2.24345213 1.64288529 2.931322492 2.236375862 2.246627501 2.084406194 2.327130513 2.044178381 2.096542132 1.805511994 1.724605323 2.586077225 2.421601845 1.569159882 1.787773436 1.214713785 1.990673271 1.980667876 1.807011298 0.985190525 1.644340602 1.801444153 1.648077016 2.142989608 1.632502576 1.749258533 2.174431233 1.463714258 Malonate 0.245082488 0.17869192 0.215415343 0.214356612 0.264911376 0.208063107 0.228825859 0.257637135 0.231837707 0.213626052 0.161954894 0.142568293 0.23355169 0.198303782 0.236985463 0.191601534 0.152714145 0.262422806 0.243659968 0.166938239 0.203032046 0.235570832 0.198952889 0.222271244 0.190891289 0.207280482 0.194823141 0.222598424 0.186779645 0.203936563 0.243747994 0.179613652 0.169108346 0.224520865 0.221619925 0.203578386 0.172610192 0.252885619 0.217910266 0.271435266 0.145778982 0.197375524 0.169776058 0.264089166 0.236634446 0.291470624 0.1316563 0.255699995 0.269474522 0.274068525 0.328963441 0.164309226 0.161228854 0.216419452 0.244073668 0.237437339 0.18776163 0.358479022 0.243692719 0.717083294 0.264618875 0.332705565 0.257003226 0.229822738 0.242632596 0.119088892 0.23169161 0.174855863 0.220071473 0.199553237 0.206316983 0.185074443 0.248649394 0.167558339 0.161196944 0.2021755 0.150904069 0.188293674 0.186882284 0.173560345 0.19709869 0.234162226 0.210780264 0.121178033 0.227270423 0.156085509 0.148635633 0.207947659 0.145100875 0.143951455 0.316662145 0.199590299 0.158379692 0.141448771 0.3062932 0.213350623 0.1068785 0.141988199 0.114868994 0.133090479 0.264978919 0.112361121 0.174420628 0.135949155 0.151759152 0.128092443 0.292526183 0.100494501 0.113708746 0.135650169 0.132703011 0.118965419 0.153322604 0.174170345 0.246845509 0.13363422 Methionine 0.429093694 0.42166356 0.385367838 0.46893682 0.545706221 0.598268642 0.53620321 0.412536656 0.439430598 0.390273717 0.510670532 0.4324121 0.344543311 0.518101079 0.495238835 0.461690497 0.428452326 0.471060172 0.631395877 0.449089194 0.549965102 0.51650576 0.460413485 0.487834131 0.448876073 0.464251754 0.503627779 0.562017184 0.316161326 0.447052058 0.501974853 0.52837272 0.462600511 0.553754735 0.610935071 0.478397821 0.698738484 0.59083221 0.530686244 0.557834684 0.609936831 0.506732056 0.544607337 0.482951102 0.472451416 0.634555878 0.55074302 0.642113911 0.544724807 0.557085484 0.406376784 0.585385838 0.496683596 0.526572813 0.546265431 0.517786677 0.522669832 0.514496361 0.512088898 0.568706208 0.451976373 0.483558196 0.579371588 0.451270307 0.506028343 0.74046176 0.564716031 0.534968995 0.583676803 0.51939111 0.674713085 0.406049836 0.518618717 0.477166673 0.492109325 0.549620696 0.458361778 0.584609645 0.496669077 0.575582134 0.412457167 0.802649044 0.508436071 0.568176449 0.680098985 0.476230343 0.582240121 0.5543629 0.528778916 0.421342727 0.576045208 0.685615853 0.565176915 0.471853706 0.558825824 0.614968947 0.577871162 0.533496634 0.424406583 0.54967476 0.564323427 0.528416926 0.570078483 0.345729068 0.436202487 0.483919065 0.628293237 0.358474254 0.490125787 0.51064592 0.452580833 0.516781946 0.568001197 0.650581892 0.866024607 0.507244066 Methylmalonate 0.176632529 0.250448233 0.278078517 0.129931295 0.237530178 0.159186511 0.209571178 0.189941376 0.1145866 0.117368294 0.122510137 0.255440605 0.103692156 0.193695703 0.209073594 0.126016936 0.108319659 0.171026375 0.109826469 0.119141003 0.166831037 0.140652297 0.10895303 0.240845424 0.220549747 0.17165314 0.14499179 0.107180231 0.090172817 0.169893144 0.167969327 0.130254132 0.119728522 0.130423389 0.310989352 0.127901271 0.125746784 0.135941218 0.220271512 0.1501141 0.495411404 0.684677618 0.215226908 0.15406981 0.463777087 0.354794786 0.300087363 0.147185163 0.142556689 0.271311297 0.169440392 0.301355612 0.267905903 0.350600831 0.231550357 0.787858966 0.196263141 0.183573911 0.164717035 0.181073957 0.196210989 0.160308171 0.133857238 0.198363214 0.613381174 0.395561285 0.26345699 0.197903024 0.158641245 0.225639073 0.267043402 0.138155242 0.177075596 0.199349004 0.208256608 0.236037998 0.349060998 0.197878007 0.155744046 0.319578332 0.342014589 0.15742871 0.361213588 0.246033762 0.2198469 0.291729729 0.344198808 0.23907652 0.442897316 0.220754789 0.324034636 0.178446586 0.231734843 0.494638143 0.229107909 0.236595161 1.194053033 0.219343574 0.357987617 0.643776119 0.259627223 0.730385102 0.213851614 0.189333852 0.436363345 0.577920905 0.206699933 0.166489604 0.476332653 0.215940208 0.209980371 0.707047422 0.202782233 0.205654283 0.250845542 0.227995071 myo-Inositol 1.770073158 1.177520746 0.324543002 1.929577818 1.576269043 1.509285516 1.479727595 1.745931495 1.553825218 2.093824198 1.302716824 1.372969939 2.235961992 1.278024758 1.600388499 1.872785033 1.038542028 1.883556321 1.641555741 2.090811759 1.523879635 1.744295533 1.713386231 1.080736184 1.52354152 2.207242722 1.510119331 1.545361741 1.815084612 1.919761814 1.129672301 1.612123896 1.763407636 1.711461149 1.344272106 1.728472072 1.633261008 1.421826503 1.49536537 1.932795744 0.222728441 0.471799954 0.582062927 1.656892903 1.283168663 0.696340784 1.056548825 2.073171898 1.469917122 0.537580994 1.458814171 0.410695612 0.948089957 0.661066331 0.361546888 0.702065435 1.104691095 0.699558046 2.307594025 1.667154009 1.318912095 1.657832924 1.58014724 1.082418268 0.725861462 1.109017882 1.105249491 0.588446876 1.164614359 0.316997037 0.423196423 1.348682834 1.005809453 0.935260936 0.857518989 0.629740066 0.518888362 0.944877049 1.787810632 1.029080907 0.566431128 3.064116987 0.46616424 0.640867024 1.012666878 0.835204567 0.618881249 0.793078477 0.780085148 0.808276449 1.197374507 0.481990318 0.909891912 0.851721111 1.191234142 1.019889639 0.410356753 0.698713992 0.663382408 0.479517719 0.78085376 0.419790272 0.585952452 0.619279863 0.790479382 0.564715632 0.795265197 0.423065212 0.47401509 0.473378699 0.766646908 0.597095811 0.530139247 0.594901711 0.858930937 1.660846109 N-Dimethylglycine 0.029525029 0.036752242 0.112090897 0.050757401 0.04781953 0.03398648 0.056465656 0.051977362 0.024842704 0.024953245 0.04073479 0.051198246 0.018816217 0.050384586 0.078875978 0.015321108 0.03940983 0.014365386 0.022996115 0.032047298 0.020074063 0.044151679 0.020696204 0.040864852 0.054027698 0.034784679 0.046419092 0.009021516 0.017836629 0.054380172 0.023116473 0.032666628 0.013108664 0.013573958 0.031203301 0.02471751 0.017738388 0.045821907 0.048680226 0.066318728 0.043526196 0.016318761 0.084955187 0.025722375 0.01550354 0.034778871 0.033371733 0.022397986 0.021160526 0.030979305 0.021800031 0.01159443 0.021251303 0.037524836 0.023777435 0.031642155 0.027572552 0.02655695 0.035760215 0.028748199 0.030838964 0.035697642 0.017236611 0.026274412 0.012385939 0.081895733 0.016906773 0.01733477 0.014867784 0.021487555 0.03085251 0.020382691 0.029224525 0.015287679 0.025616159 0.02144769 0.018211062 0.028231394 0.023706426 0.046301195 0.011261674 0.034113428 0.043084029 0.063822044 0.050169462 0.084401288 0.038605141 0.015269057 0.233030028 0.071921801 0.069829318 0.029314993 0.146648774 0.013745367 0.074629528 0.022155908 0.026049526 0.046332713 0.034196834 0.049569582 0.132816721 0.014045134 0.088163452 0.0379698 0.194765432 0.05202939 0.058250167 0.132979645 0.026797908 0.135880051 0.015697297 0.030634849 0.053948338 0.026095726 0.057034344 0.021257924 N-Acetylaspartate 0.259885144 0.236491384 0.298645564 0.302581594 0.268933796 0.218147857 0.324092735 0.236638214 0.268232021 0.208980523 0.342179945 0.318224738 0.26575849 0.342380872 0.210654223 0.242286483 0.199958646 0.264916155 0.302060908 0.290314901 0.220139642 0.389640515 0.214901326 0.255765536 0.132876582 0.305983293 0.268503825 0.366490238 0.205600867 0.245401503 0.251851272 0.27248078 0.219724815 0.297734077 0.2535653 0.203296139 0.268262674 0.275130802 0.205921616 0.313926263 0.197988116 0.127351868 0.128213213 0.170931122 0.231447806 0.214603614 0.133768979 0.21738754 0.208192579 0.182990887 0.333271123 0.176856379 0.173708656 0.218579073 0.183766146 0.20956844 0.179702139 0.117921561 0.165294988 0.257071417 0.266400724 0.114312451 0.237312496 0.196605394 0.231609589 0.156775685 0.211594586 0.322217364 0.160170345 0.160866585 0.158483303 0.124630338 0.140516457 0.144281076 0.195828595 0.132102666 0.176174167 0.153976871 0.118040254 0.215886411 0.189480954 0.134010616 0.270600999 0.221737119 0.147471546 0.169088495 0.193813512 0.13817946 0.206002708 0.166193786 0.232971 0.13541132 0.232854075 0.275861351 0.185003079 0.120338345 0.3044356 0.140902533 0.216731923 0.247016924 0.158405226 0.182027605 0.128738935 0.1054153 0.212808574 0.273003013 0.123918353 0.107041219 0.208003473 0.134576285 0.196030133 0.213003081 0.140982427 0.131220544 0.14028718 0.146135605 Nicotinamide 0.019840402 0.02109534 0.001472202 0.016544615 0.014662863 0.023460365 0.012712203 0.013699829 0.01626917 0.017463357 0.020174622 0.013912614 -0.000420901 0.020649125 0.012511775 0.0116969 0.018534019 0.011100778 0.025104812 0.035392779 0.018752079 -0.003330595 0.023899598 0.005221011 -0.003988506 -0.003835053 0.016913317 0.027184147 0.021479056 0.022573638 0.036265086 0.018131743 -0.004743409 0.011134746 0.013685411 0.03007988 0.023943509 0.015876688 0.012592065 0.030843435 0.021243873 0.02681632 0.038157414 0.027510811 0.023429168 0.026491118 -0.000754205 0.029777393 0.031380472 0.035679991 0.027149953 0.014724229 0.012348527 0.027522718 0.024634754 0.017960935 0.024288443 0.039007606 0.033257183 0.037382773 0.032764165 0.028177192 0.039475301 0.014191523 0.034774653 0.015465657 0.034336304 0.017176299 0.024822821 0.037146318 0.023069602 0.000654688 0.028129154 0.013651045 0.023426973 0.019356446 0.016456381 0.024356243 -0.000404225 0.014028315 0.025185005 0.031215196 0.015657195 0.017460381 0.028413572 0.020029754 0.009095378 0.035096247 0.012557332 0.021556626 -0.000790408 0.028534929 0.00902087 0.007587861 0.001260245 0.025056409 0.008417428 0.00171922 0.011665436 0.012967892 0.022899488 0.015704906 0.032330522 0.030883898 0.007047088 0.004381834 0.033543612 0.023369144 0.01591608 0.018751001 5.46E-05 0.016500032 0.026266894 0.023524658 -0.000652297 0.013257831 Nicotinamide adenine dinucleotide 0.009620865 2.44E-05 -0.000714221 0.024577922 0.013170118 0.01621667 0.014572063 0.018321263 0.012092778 0.03136548 0.014693732 0.010385003 0.018072569 0.000712144 0.016707546 0.019997545 0.025977488 0.023962208 0.010398006 0.002621372 0.008595939 0.008757228 0.018390396 0.002338462 0.002348968 0.001439105 -0.004119749 0.005595456 0.008360435 0.024330352 0.001347292 0.0245944 0.005060169 0.025327762 0.002224106 0.004977202 -0.001317051 0.017261864 0.010637042 0.003106061 -0.001240274 -0.002551485 4.69E-05 0.004860383 -0.00053716 -0.002218614 -0.002333023 0.00874094 0.01221043 -0.000993874 0.01919319 -0.001883864 -0.001285381 -0.000777849 -0.002488667 -0.001370875 -0.001786567 0.002063375 0.000621158 0.002264017 0.002216368 0.015499637 0.006274243 -0.00622038 -0.001168629 -0.000648842 -0.001109714 -0.001352092 -0.001263097 -0.001636896 -0.001295434 -0.000580485 -0.001058102 -0.002068343 -0.000867652 -0.000109294 -0.001651416 -0.001627338 0.005096642 -0.002593837 -0.003692781 -0.000628784 -0.004328456 0.00012882 0.000980455 -0.000433927 0.00040748 -0.002368778 0.000151041 5.87E-05 -0.000530583 -0.0005815 -0.001005669 -0.000511782 -0.001266771 0.00053862 -0.000392097 -0.000560739 -1.13E-05 -0.001029561 -0.001243618 -0.001038233 -0.000536859 4.92E-05 -2.12E-05 -0.000268822 0.000159466 0.000129938 -0.000469492 -0.00103163 -0.000557413 -0.000196917 -7.02E-06 -0.000340463 -0.001840135 0.00043315 Nicotinate 0.016296264 0.014726702 0.007139149 0.012084645 0.012398401 0.016324114 0.006970328 0.009028913 0.012367178 0.006898505 0.012218632 0.011914276 0.01600789 0.01407075 0.012160422 0.008912375 0.006513458 0.010268356 0.021683512 0.028392504 0.01641544 0.016788219 0.019620172 0.009716817 0.016185994 0.025017238 0.013269884 0.02149139 0.016750809 0.018547065 0.027558287 0.013907235 0.014429174 0.006267448 0.011585874 0.024221499 0.006307355 0.013179469 0.02117957 0.020875645 0.018539151 0.026234223 0.033131853 0.011885765 0.02094297 0.025418773 -0.001902806 0.028124483 0.028224182 0.036911485 0.025262446 0.011927551 0.01064144 0.032017998 0.027726737 0.016891941 0.024562882 0.038553023 0.030554448 0.039312169 0.031211478 0.027110905 0.038197209 0.032956101 0.033396163 -0.001104398 0.029868379 0.017636466 0.021309026 0.038179163 0.020082488 0.023633319 0.024998511 0.015495566 0.022430901 0.018896861 0.013153039 0.020899523 0.011048941 0.012922372 0.026667658 0.024780159 0.018208522 0.013800616 0.020785179 0.016818008 0.018526148 0.03162509 0.014315281 0.016922963 0.028087947 0.036500527 0.015413318 0.005792492 0.047110568 0.018330986 0.007761565 0.01790145 0.010472364 0.009906993 0.020325717 0.013110062 0.025322542 0.024971332 0.01284912 0.011728393 0.025560067 0.019719789 0.014329022 0.014559913 0.017790924 0.013956978 0.020042384 0.019765591 0.022789176 0.018769446 Phenylalanine 0.117470534 0.101813894 0.229538501 0.095621945 0.245183178 0.129801967 0.119935116 0.138716117 0.108665922 0.106650701 0.097783397 0.224474703 0.109248043 0.167730497 0.126208453 0.133522133 0.086528966 0.121191673 0.090651546 0.10599058 0.208021184 0.127880004 0.10884089 0.320494215 0.143135036 0.119348648 0.1831026 0.102609812 0.111504033 0.145510329 0.147367619 0.129430531 0.121458921 0.098281448 0.339909435 0.099495196 0.111941665 0.155241205 0.149313391 0.117746861 0.176336741 0.134807357 0.176184164 0.147151683 0.121130076 0.246836188 0.130361755 0.117015269 0.123424281 0.157953682 0.150435065 0.159811228 0.184347712 0.232190758 0.170156311 0.178267938 0.148169509 0.159831626 0.192491669 0.101351093 0.182125147 0.134190234 0.124362623 0.189512699 0.167855606 0.191728968 0.214945819 0.212019542 0.190669739 0.165641593 0.216699686 0.238644686 0.201118965 0.152404696 0.093710005 0.183888302 0.113306853 0.169382208 0.110285615 0.190245368 0.141467523 0.205621362 0.167351899 0.177802162 0.218260201 0.194568169 0.248752825 0.160279435 0.252293929 0.184378936 0.265218313 0.243822066 0.236569906 0.205129758 0.224676788 0.288280451 0.216696026 0.21257573 0.177651251 0.30859424 0.259423725 0.171417241 0.174937638 0.111874352 0.188939152 0.23794552 0.235794795 0.087013581 0.190484227 0.215518657 0.156081279 0.235348593 0.150457282 0.165878072 0.28351421 0.151535013 Phosphocholine 7.671682866 4.390439685 3.822901293 6.690121933 4.797924131 7.423346345 6.496302098 6.381395267 7.371061571 6.197200531 5.513552637 7.270101711 7.483498939 4.354786392 6.847059289 6.866474452 4.703180266 7.46698531 6.676905512 6.729650241 5.517326372 7.882169485 6.846900592 4.618380628 5.127735972 6.287235488 5.084265058 6.067415853 8.488017402 5.843466538 3.380153582 6.966556536 6.334133877 6.938609437 4.320738588 5.720016089 5.817924951 5.869671447 5.398953287 6.027363775 2.52014415 2.121329481 6.7949307 8.930311229 3.045142011 2.847648487 2.814507418 7.850830289 9.048633763 3.794921108 8.956804874 2.292777183 2.291301924 4.495688043 2.561719298 2.576962517 4.172118108 5.222479232 7.712961241 6.756437279 6.091504071 7.648598708 7.056364903 3.81354396 2.684048505 1.874173788 3.968291538 1.685198843 3.331276119 1.482686224 2.983907683 6.806707532 3.640065273 1.473580095 3.723298895 2.501096811 2.799964268 4.887942239 7.85725485 2.884710492 3.175079535 5.051510696 3.861826756 4.073077184 6.715974919 3.140145903 2.435028894 2.523877999 3.660896458 6.124635064 4.459401127 7.711056461 3.904334335 1.814112145 3.204069294 7.673362016 1.839549879 5.224924562 2.439102526 1.6734486 5.394539174 2.228909524 6.783346811 10.22036558 4.093077 2.599965295 8.980335032 9.030457874 2.018016502 6.153501717 5.36314617 4.443362881 4.606926164 4.616994725 5.98887972 7.566400736 Sarcosine 0.024711793 0.038994608 0.109206774 0.02775617 0.058399369 0.039095381 0.034153935 0.03926247 0.026599745 0.023637152 0.03486926 0.075102587 0.028681808 0.067029132 0.048362485 0.028625891 0.022519078 0.024457115 0.030359259 0.023808531 0.052267972 0.039891099 0.02880923 0.080339456 0.050397066 0.036538682 0.041850654 0.043855489 0.019723556 0.041670747 0.044317795 0.048237851 0.027314234 0.027526549 0.040756885 0.028909044 0.029228191 0.012294724 0.04120113 0.041382348 0.063808388 0.081965367 0.029496644 0.024207157 0.048045613 0.065747122 0.161946557 0.04426153 0.033459286 0.052699537 0.079009263 0.068505121 0.062189566 0.069438532 0.073135544 0.037449448 0.037006182 0.04216545 0.025592924 0.023258628 0.042880902 0.054735197 0.027450579 0.117690635 0.061869943 0.133237112 0.049181361 0.044549491 0.126894245 0.047597598 0.048545195 0.016131254 0.02376831 0.040026775 0.050698446 0.025743133 0.064794176 0.038127894 0.019378102 0.036072326 0.054995986 0.024908219 0.0872838 0.159038423 0.024664824 0.024890939 0.034534695 0.033136517 0.07071162 0.04576371 0.034238215 0.03939805 0.019900495 0.045357816 0.021050481 0.039465278 0.026608832 0.073522403 0.066134624 0.044966017 0.032712514 0.048686326 0.03031556 0.020210718 0.097853765 0.046458008 0.02918152 0.017979592 0.065610454 0.027020401 0.019868505 0.028271701 0.021215724 0.020229487 0.022708133 0.041628605 Serine 2.371401335 2.44817578 2.005588769 2.372132089 2.331070207 1.736762392 2.510154415 2.230286381 2.068250643 1.768735242 1.474351335 2.585228798 2.405316079 2.409785112 2.513573945 2.350973068 1.823512075 2.035258666 2.450394312 1.585118879 2.231373949 1.823636481 2.331846387 2.350064213 2.386060783 1.73064562 2.495549856 2.210663522 2.603895309 2.318523469 1.908892246 2.222229392 2.600750025 2.358744267 1.997895785 1.750893482 2.127790144 2.50902462 1.900795421 2.137892279 1.418740774 1.517774635 2.035731981 1.615885795 1.23364179 1.681515945 1.461191662 1.261295372 1.308806445 1.472231974 1.335972441 1.521900482 2.00918921 1.162551922 1.424441773 1.835778028 1.805261059 1.45556731 1.351273152 1.461382422 1.499494871 1.423406256 1.422116075 1.952839524 1.593150766 1.697584243 1.577561217 2.228057412 1.900668998 1.398777277 1.567124691 1.658154365 1.251969106 1.762521346 1.699314662 1.444484251 1.776937551 1.505895684 1.418349388 1.629954403 1.580638446 1.275135103 1.807686846 2.309822036 1.199673793 2.060888613 2.136951982 1.597276003 2.116686201 2.123426686 1.929542016 1.723489257 2.231974824 2.434960999 0.874048642 1.579294097 2.668057435 2.154998603 3.083018794 2.508301416 1.594989109 2.899756956 2.01441873 1.860864049 2.106793641 2.2373701 1.630865248 2.292149771 2.450380584 2.36696458 1.908766927 2.427880607 1.692159877 1.469251039 1.475862679 1.507136194 Succinate 0.543072721 0.491186211 0.285364454 0.781608427 0.169321654 0.512893939 0.512631037 0.429711217 0.699424632 0.565045355 0.544245652 0.387125813 0.37594173 0.507075551 0.480739458 0.340698153 0.337978281 0.304184089 0.364816344 0.19982691 0.627075071 0.604356879 0.336698109 0.187344516 0.279251633 0.375491535 0.116547774 0.507011937 0.108013996 0.636258828 0.382744293 0.562521569 0.093205356 0.600728483 0.223261663 0.661672103 0.713187765 0.50378193 0.858805246 0.341407833 1.088089887 1.056217262 0.217662081 0.370514452 1.163604029 0.385865408 1.066877464 0.440234377 0.487704595 0.158899226 0.260835313 0.097447362 0.177157438 0.124569836 0.106924821 0.787444888 0.302010261 0.105263974 0.171512113 0.125856163 0.278997046 0.157544138 0.506459258 0.230140951 0.955346357 1.241002362 1.090614109 0.054475848 0.90450805 0.135262243 0.124291793 0.117443044 0.116645224 0.263998234 0.275326948 0.103354979 0.317095253 0.334163844 0.201607129 0.250614776 0.267398165 0.33073186 0.317026915 0.248224899 0.338708436 0.25688195 0.174473661 0.108137824 0.246301264 0.238639255 0.150027293 0.11790128 0.171205309 0.120831225 0.200263817 0.361548512 0.131166429 0.186280715 0.188871267 0.240667512 0.232013015 0.286500403 0.222622454 0.162490258 0.150970086 0.164523595 0.277862913 0.212208941 0.334084003 0.224553111 0.183706278 0.130104297 0.428279135 0.527975315 0.172479883 0.178609085 Succinimide 0.012525589 0.012087004 0.018009958 0.008399933 0.018226858 0.011468494 0.011549956 0.008480251 0.011344768 0.012895048 0.004773282 0.019330071 0.005757012 0.013746347 0.016448429 0.003810542 0.006698569 0.009388753 0.005266218 0.0054481 0.010763544 0.00920866 0.013131478 0.024311559 0.010327279 0.007599701 0.005095747 0.003255129 0.001807167 0.008577387 0.008798588 0.007211313 0.00409454 0.004502198 0.024856135 0.009425713 0.009423291 0.013138659 0.012869842 0.010928363 0.050904002 0.032185004 0.016783493 0.014590587 0.026878815 0.025627846 0.040766426 0.085058404 0.079043141 0.042261363 0.014954595 0.032291971 0.012938586 0.060785969 0.027888874 0.023511802 0.023140273 0.032986138 0.014610898 0.019926315 0.015507417 0.09288139 0.014047067 0.015969754 0.023998113 0.059147621 0.039181564 0.022858553 0.040600715 0.01649068 0.019187099 0.009029818 0.049942671 0.00872338 0.026858929 0.01253161 0.021492839 0.013724532 0.009239024 0.013849353 0.024776004 0.008382462 0.033284728 0.018397258 0.009980166 0.0121571 0.026945964 0.002931755 0.02515751 0.01643315 0.044047943 0.023170367 0.008329009 0.014454673 0.007619491 0.007186387 0.016262734 0.035475357 0.02259579 0.016019776 0.013714874 0.011497663 0.018051544 0.009460721 0.044333861 0.029876628 0.023394604 0.00750814 0.016820554 0.011213179 0.007355051 0.01142731 0.009970798 0.028924118 0.021714809 0.014130334 Taurine 1.086484531 2.869452443 1.309646713 1.374720814 0.862720927 1.132736699 1.044133827 0.946767185 0.975108198 1.182656251 1.802066998 0.754444036 1.076738948 1.837190798 1.000842975 0.810025996 1.552214542 0.730048737 1.051187701 1.438158173 0.68111925 0.987784666 1.078404895 0.70367725 2.062921135 1.39342222 1.226193324 1.419182679 1.100764124 0.850236524 2.708261142 1.31203672 1.082398074 1.306952722 0.664410405 1.411209147 0.914910021 0.793866094 0.77058835 1.328347542 0.222659648 2.6835232 2.609413041 0.796714604 4.030892276 3.116171458 4.609354635 1.180691013 0.828594276 4.524426869 1.019378387 3.44934397 2.962451486 2.522888062 4.268006193 3.408070238 3.504707812 1.85932709 0.795639553 1.145633296 1.895140301 0.857612581 1.154530245 3.104484203 2.753444238 3.373163765 2.449960354 2.290726934 2.946879897 2.816795657 3.380370503 0.657257117 3.301374318 3.881486111 3.613650617 3.703960511 2.709187782 3.373757919 0.936904119 3.1467019 2.677760198 1.497726106 3.055983401 2.385753656 3.26721685 4.324167913 4.189419638 3.477563457 2.310260891 3.095265841 3.676144105 3.354430595 5.079940275 2.379731206 4.535081988 2.606702304 2.107524779 3.517128885 1.365892651 2.377489517 3.674080682 2.751128683 2.598959037 3.651370238 1.99564824 2.992792304 2.750001912 3.500814767 2.497028268 3.097650767 3.711417636 1.898011719 3.34328456 3.123578684 3.006413221 3.202731255 Trimethylamino N-oxide 0.202389105 0.143658306 0.175243627 0.153538784 0.228318163 0.168988214 0.221003914 0.190537461 0.172686235 0.170995536 0.127801069 0.345987894 0.231291235 0.138009027 0.249824267 0.243259836 0.25484679 0.218671818 0.192504733 0.158406716 0.236094428 0.193454615 0.192970027 0.401642026 0.127704105 0.157025568 0.296192221 0.169752489 0.247869196 0.196364371 0.213117441 0.154990546 0.225958036 0.230362062 0.358097895 0.187410062 0.15986638 0.208516878 0.184375407 0.176317925 0.431784509 0.10748885 0.123394183 0.149353671 0.062603934 0.193160918 0.558072451 0.100794442 0.128393507 0.09714945 0.128923015 0.163365645 0.102287925 0.20052059 0.108600994 0.189190682 0.173513649 0.142246659 0.108197103 0.102611934 0.132547633 0.108783711 0.126642608 0.161432998 0.093090312 0.67372517 0.145028578 0.111407613 0.192564369 0.138263207 0.203164616 0.222280698 0.102714182 0.208295514 0.096621608 0.085284268 0.091265138 0.170109351 0.132113063 0.1129101 0.102928615 0.065382368 0.147114465 0.147605706 0.104770911 0.195822083 0.220054557 0.100152941 0.172075604 0.135152093 0.12127966 0.102587601 0.241740176 0.040622051 0.055663874 0.09544401 0.150264289 0.149303279 0.157487663 0.131377821 0.137732318 0.159502436 0.108799679 0.087515328 0.114853044 0.140047261 0.109504653 0.16480322 0.108155135 0.333883301 0.201527114 0.123811754 0.106695391 0.12779803 0.113437562 0.098866274 Tryptophan 0.011278252 0.002818202 0.020780166 0.011094823 0.026004415 0.01182052 0.01576918 0.015860264 0.013903248 0.020757875 0.006766637 0.022711029 0.009951158 0.010411782 0.028905534 0.017896437 0.006142372 0.0060619 0.004492607 0.010684565 0.021264665 0.00884272 0.011858384 0.036857683 0.013807007 0.008731472 0.012081639 0.00979609 0.008675996 0.017613988 0.009730919 0.013269203 0.010285616 0.009388648 0.038792147 0.01418803 0.012802817 0.013053633 0.014803949 0.018444137 0.016096109 0.015558892 0.026055248 0.016028445 0.013244459 0.002567071 0.014401768 0.018338649 0.025899176 0.025893563 0.030258426 0.020194866 0.013037764 0.021523247 0.004945986 0.018645964 0.013437379 0.011529605 0.021310116 0.057594067 0.020392811 0.011375682 0.011560142 -0.000658895 0.023436103 0.015662985 0.022147439 0.02155149 0.018335002 0.001153827 0.020544374 0.031652964 0.013363939 0.01111975 0.012357322 0.022961286 0.011839101 0.002698185 0.013864386 0.015519208 0.00961106 0.022799495 0.021938859 0.019752578 0.037980158 0.015061405 0.027818581 0.036728852 0.024113329 0.023702646 0.025119994 0.023652735 0.024777861 0.030385165 0.018109455 0.033790158 0.021452715 0.027860581 0.015586695 0.034969708 0.027197719 0.023591043 0.023984196 0.016355575 0.012383889 0.024706863 0.038145407 0.012687574 0.018797841 0.018195789 0.022428752 0.022635861 0.031744214 0.020970654 0.035043755 0.027066486 Tyrosine 0.075260199 0.083445692 0.192927994 0.068869521 0.203825689 0.093967302 0.102016225 0.10105776 0.074046095 0.072476884 0.06541365 0.198196037 0.074062375 0.130963305 0.097660009 0.102333864 0.058053335 0.076990116 0.065580188 0.075064481 0.160154429 0.088148309 0.073766491 0.273482208 0.114431181 0.088326322 0.138081335 0.070337832 0.076402409 0.111890082 0.122047243 0.096487024 0.087867953 0.062575404 0.287071615 0.066042257 0.080319529 0.128287289 0.116497972 0.087869535 0.141944969 0.110275422 0.157953713 0.130273975 0.098210562 0.206188153 0.106933496 0.101221364 0.099725367 0.173738859 0.127418979 0.123738825 0.164196031 0.186729792 0.151733379 0.148120134 0.143838092 0.130965722 0.168521173 0.085897265 0.157027336 0.109661282 0.107234411 0.16798565 0.141409407 0.153313477 0.180135363 0.178694959 0.170128527 0.140804542 0.190044089 0.213176131 0.187511128 0.132417256 0.082172102 0.159881279 0.098625119 0.136725236 0.094959611 0.161219397 0.126880701 0.176576648 0.157037858 0.139960698 0.214286266 0.152397007 0.188337086 0.113637837 0.188020478 0.123845855 0.199286221 0.196570138 0.191508576 0.182577492 0.146934034 0.184775636 0.16873735 0.141368678 0.140337094 0.249583439 0.206455632 0.13617899 0.160961823 0.08953501 0.150727158 0.165061306 0.19312709 0.080258182 0.134299338 0.154064363 0.145425735 0.176890663 0.130532686 0.131087796 0.238268226 0.113472078 Unknown-1 0.357828445 0.465775012 0.607501282 0.357579381 0.524000874 0.42116842 0.378337185 0.378328114 0.367666995 0.38456445 0.35604538 0.584638042 0.419187345 0.58746988 0.427592061 0.419332122 0.321204927 0.338129331 0.287372722 0.37302578 0.425029725 0.373547129 0.303745402 0.542360888 0.41034164 0.389465909 0.403181754 0.314346102 0.335988267 0.339932029 0.494064115 0.384856139 0.370793537 0.342972494 0.699267343 0.36029245 0.389171595 0.400159783 0.40460795 0.34559228 0.953286867 0.70045832 0.637948342 0.409725558 0.455622421 0.714301456 1.591735589 0.493314799 0.463486435 0.508760227 0.596412166 0.587548311 0.615154234 0.947432185 0.627141993 0.602289157 0.4953504 0.531998154 0.562780474 0.464850014 0.789754847 0.544221751 0.402048426 1.019253549 0.609424781 0.345046702 0.466685643 0.744345905 0.588255867 0.860819007 0.540325341 0.399237227 0.471799784 0.625826429 0.482495232 0.507583403 0.483642884 0.542804178 0.29317417 0.554015421 0.574088472 0.418793792 0.675576645 0.424720362 0.515176775 0.46951567 0.424992376 0.869582652 0.445445519 0.485705072 0.590073895 0.499259276 0.517186806 0.418556313 0.925074215 0.537130669 0.401443433 0.439716911 0.348404566 0.471419619 0.624678378 0.476031129 0.648081404 0.676520899 0.462844493 0.442519818 0.677377008 0.523900153 0.508821242 0.490727852 0.641069247 0.443017634 0.70017142 0.637388798 0.497831726 0.524792303 Unknown-2 2.040701009 1.67538587 1.733316109 1.775947801 1.943449059 1.559209476 2.544283784 2.873643812 1.53923489 2.05433635 1.813197384 1.488987221 1.947537683 1.159396475 1.485975189 3.294559013 2.212511934 2.482513121 2.146932125 1.894399801 2.204002986 2.164168825 2.525357345 2.067778101 2.187600765 1.768926694 3.067424327 2.077067114 2.447467168 1.692879108 1.190244837 1.750356016 2.530014287 2.406473372 1.8328486 1.893654349 1.987107703 2.287502757 1.764579257 1.859953904 2.187517105 1.389322151 1.951754562 2.497562362 1.262381914 1.055677129 1.526461916 1.616946516 1.980551889 1.007960897 1.76951798 1.088471989 1.434092419 1.24926284 0.877518186 1.552078444 1.516029191 1.821197299 1.737478631 1.616304771 1.517271065 2.228757115 1.924143853 1.801874995 1.501958344 1.043004073 1.353636855 1.80159629 1.548804198 0.967016115 1.000847168 4.07751173 0.813348346 1.324228684 1.619433291 1.089066924 1.628764532 1.273714451 2.169093598 1.126627451 1.173501185 0.674965711 1.178780049 2.541737971 0.916536134 1.393422587 1.507342673 0.995066646 2.276681086 1.668376569 1.193895278 1.361338013 1.001508885 2.373092295 0.743732811 1.302374344 2.080345206 1.735040614 2.673732931 1.855168147 1.192259559 2.195291131 1.901582553 2.617703319 2.565192605 1.86495777 1.518431256 2.662496242 2.031016995 2.042879407 1.454320086 2.263292096 1.359215469 1.303970332 1.021800492 2.062183543 Unknown-3 0.038712543 0.030376611 0.061915603 0.029766556 0.068152948 0.037493005 0.021109719 0.027043455 0.023325665 0.047009124 0.040934732 0.06623305 0.028745316 0.072999802 0.052596021 0.080293334 0.077562919 0.029368896 0.038793504 0.086628783 0.057495025 0.053185058 0.04814361 0.11479203 0.029599009 0.02870136 0.031580239 0.055952756 0.121980981 0.067274088 0.096187606 0.039052033 0.041940935 0.036628124 0.06566823 0.032141486 0.028521261 0.049808392 0.056606584 0.034203714 0.007864747 0.087544224 0.098338975 0.032690512 0.029255524 0.063244629 0.048766992 0.029489476 0.030181676 0.048286478 0.028242716 0.070883669 0.050481711 0.065389713 0.044049818 0.093854467 0.061044823 0.021883929 0.026341052 0.060309174 0.041564566 0.061490336 0.037982168 0.050521415 0.060191896 0.058188499 0.048775709 0.054786352 0.058926455 0.053278805 0.050636406 0.029282574 0.04161678 0.0599904 0.063707661 0.058903235 0.088053039 0.047525428 0.036578495 0.057639762 0.071333426 0.029174036 0.088919961 0.056638228 0.086483081 0.087811264 0.09673402 0.069523188 0.082076472 0.093018711 0.038960476 0.030771833 0.059595836 0.126796442 0.031759725 0.069316712 0.215184268 0.086548349 0.117056622 0.157270295 0.035473866 0.164953767 0.098214676 0.067253369 0.073178577 0.175295503 0.068605424 0.135445986 0.147968101 0.106210105 0.084812455 0.127963149 0.069211437 0.042565488 0.07121838 0.038795323 Unknown-4 0.036643619 0.00622689 0.035096951 0.041272988 0.010389555 0.043555157 0.015967319 0.023891604 0.038313943 0.051206978 0.046445479 0.019965538 0.050053512 0.024260632 0.079133173 0.032851025 0.062064499 0.035951231 0.044677562 0.040973183 0.035208214 0.015194033 0.071149687 0.031112134 0.00771028 0.010652885 0.003724864 0.03765678 0.037941168 0.052166177 0.013024862 0.042499662 0.061634735 0.026461297 0.006103193 0.01811422 0.045275637 0.027044545 0.038759575 0.002814508 0.012119812 0.01254519 0.030378546 0.047636203 0.017679937 0.007195381 0.027732472 0.045106986 0.048293874 0.016341234 0.053456864 0.00166564 0.034344069 0.022242369 -0.00113997 0.014879604 0.020214474 0.038737981 0.027677431 0.022173168 0.037588242 0.042261124 0.049447041 -0.003082755 0.012015923 0.025526949 0.03191037 0.018410497 0.029601191 0.013018439 0.013389268 0.039363136 0.014173345 0.01241166 0.065453724 0.021346551 0.025268568 0.02628423 0.049033264 0.007454809 -7.37E-05 0.016041204 0.01138716 0.02316971 0.023206626 0.030875796 0.025167966 0.011228537 0.010258207 0.039444354 0.011484474 0.018539351 0.032809356 0.013709746 0.026012524 0.025923093 0.012798957 0.028849478 0.009934678 0.013674665 0.012189396 0.029452068 0.027733802 0.030153627 0.0031966 0.010975566 0.038331942 0.026071906 0.020558269 0.041388445 0.032678684 0.014327206 0.056251363 0.043838492 0.014421363 0.018769699 Uracil 0.006663922 -0.000744867 -0.006680487 0.016298471 0.020512208 0.024104431 0.005053971 0.009449436 0.015464353 0.026421529 0.013459165 0.008213289 0.013305821 0.01664454 0.013831878 0.018392594 0.002883526 0.001410036 0.007633361 0.02119115 0.030433813 0.020602776 0.014171952 0.015102716 0.025343182 0.017858103 0.007699407 0.036478812 0.028694579 0.026209887 0.036619564 0.022071689 0.023479624 0.00562424 0.019933252 0.029892974 0.026106552 0.018244461 0.017387325 0.018450885 0.02963915 0.034594429 0.038309016 0.022582736 0.036310954 0.024287648 0.042503412 0.02004244 0.01927124 0.05852555 0.022566309 0.014344449 0.029425662 0.02426392 0.029923059 0.032982727 0.040155081 0.025410236 0.018790358 0.022906564 0.025793326 0.012389013 0.021349177 0.008591953 0.038769522 0.077617237 0.048300838 0.037780124 0.043222017 0.055732936 0.044260209 0.027341429 0.07901015 0.036535109 0.019871728 0.047037531 0.027354664 0.033565104 0.018947406 0.041071773 0.017788598 0.04267021 0.007634371 0.016439392 0.028968024 0.024640584 0.018636843 0.058493015 0.017925863 0.024221641 0.032454838 0.042408645 0.044732276 0.032955486 0.049051141 0.035065138 0.012747927 0.020669036 0.012625917 0.015173967 0.051891509 0.035871045 0.042213707 0.027317074 0.021774377 0.013387831 0.034176424 0.012527958 0.01630113 0.032383389 0.060345223 0.018709125 0.037147239 0.069707969 0.0404719 0.039244579 Uridine 0.15902439 0.075254967 0.159099342 0.136264807 0.217832227 0.159641989 0.287749179 0.170243374 0.189778049 0.093002796 0.116641826 0.166850473 0.200493547 0.122651265 0.124241474 0.243842105 0.133361034 0.167283805 0.154896898 0.117484008 0.187868679 0.189925629 0.182284098 0.178609156 0.212286665 0.228232694 0.224304341 0.21153382 0.24684895 0.156392323 0.156192606 0.176177453 0.297845022 0.181336348 0.132754324 0.103789192 0.101717139 0.169451925 0.186251305 0.273941361 0.048066553 0.064580448 0.10285953 0.163647018 0.03313243 0.029070348 0.063815337 0.19316107 0.230563731 0.033333459 0.144335845 0.083514856 0.034527253 0.04746037 0.07852212 0.039481333 0.061731885 0.099404599 0.193806257 0.120569016 0.081839764 0.114054803 0.167073248 0.103414493 0.035229692 0.058529409 0.081576334 0.041386166 0.065229425 0.027911717 0.035561348 0.163736802 0.075539842 0.025816867 0.041824736 0.015756203 0.029847054 0.057524928 0.14734214 0.057096599 0.037131793 0.476843325 0.064590361 0.05878335 0.049040428 0.09133178 0.073716616 0.102362049 0.059616347 0.084056985 0.026758094 0.043737365 0.050355309 0.011108819 0.036220047 0.078750531 0.025598985 0.075978437 0.041536594 0.04121249 0.034912382 0.044910652 0.102849282 0.103622693 0.067863523 0.052146187 0.092264333 0.064693853 0.041303864 0.058369311 0.089140362 0.034305664 0.048322753 0.059416699 0.04583266 0.102284216 Uridine diphosphate glucose 0.03564925 0.007811983 0.014819209 0.058762972 0.014567633 0.025951247 0.038503958 0.00969811 0.023343058 0.070376182 0.048353156 0.029818985 0.040798224 0.038627139 0.050533701 0.047240533 0.040542553 0.047457681 0.061612916 0.057893097 0.023293312 0.018236727 0.046000956 0.019319186 0.014551565 0.025661907 3.49E-05 0.035252947 0.021848852 0.032166179 0.043368252 0.053589943 0.012065816 0.021510585 0.007417547 0.034252515 0.059779052 0.046979993 0.098695007 0.017815453 0.013681365 0.015272038 0.017900353 0.030435531 0.011386003 0.007457416 0.00439063 0.035437506 0.043100726 0.00371219 0.040870048 0.000674794 -0.003122354 0.020838598 0.002355168 0.005147652 0.005229201 0.020746928 0.006175306 0.029057446 0.045968957 0.049728619 0.045975264 -0.009040216 0.001862193 0.006831488 0.017770961 0.002494475 0.005007913 0.002899831 0.004405942 0.003057459 0.003850618 -0.002486575 0.026707633 0.009324751 0.013645977 0.01546386 0.040118273 0.00087895 0.008774872 0.028745619 0.024271679 0.0321557 0.059442724 0.027522965 0.02428511 -0.003376832 0.01357849 0.035692692 0.009726316 0.044398063 0.031865196 0.00254762 0.042702047 0.024951987 0.004541752 0.029883965 0.007557579 0.0071553 0.006685557 0.011088149 0.019941219 0.037830454 0.014188716 0.012034303 0.052333528 0.030879234 0.013365051 0.045557073 0.004258005 0.009982973 0.071302665 0.063661461 0.043078313 0.017152418 Valine 0.43334708 0.489158065 0.937593225 0.417038855 0.895207427 0.514744224 0.551250682 0.53773522 0.38666465 0.413233992 0.375310031 0.849579143 0.386294559 0.679877863 0.464289252 0.521686717 0.326888293 0.433113057 0.383175636 0.411666185 0.780339745 0.474845602 0.415740023 1.178438632 0.584148874 0.448128547 0.635937958 0.43950901 0.376494191 0.489706706 0.540430496 0.49818466 0.418768795 0.385334008 1.173565673 0.419885972 0.445086397 0.54234121 0.600318202 0.495018936 0.727805143 0.649523985 0.843188934 0.572288406 0.4570291 0.837252336 0.554286073 0.461225656 0.449916721 0.686795848 0.504636764 0.621956835 0.711083733 0.807403859 0.68073251 0.774296656 0.572223625 0.592386505 0.699718187 0.382131775 0.682311899 0.503486955 0.395444972 0.671277296 0.637050718 0.664355757 0.723068895 0.84319211 0.711354955 0.733431147 0.80417541 0.895955389 0.825296687 0.689365809 0.449263966 0.838287587 0.517740643 0.623776384 0.397019002 0.84796833 0.634806062 0.789347241 0.593180437 0.789263525 0.717996702 0.723785732 0.932753265 0.704631597 1.035700092 0.73054517 0.926733162 0.800439721 0.911699531 1.091044212 0.897084345 1.147373141 0.963608973 0.856558868 0.763823385 1.236879966 0.929108707 0.695001325 0.848085663 0.447918328 0.808359904 0.922740589 0.90059706 0.383759015 0.809207681 0.730027606 0.626053608 0.877588003 0.683353728 0.753264326 0.936915982 0.660881151 alpha-Amino-N-butyrate 0.119711745 0.107207613 0.14318253 0.085059598 0.197923795 0.12451183 0.11909281 0.087429053 0.092276542 0.094811095 0.111945335 0.148630667 0.096699122 0.127511827 0.082671992 0.103603204 0.084841393 0.098079883 0.07519636 0.09303006 0.156628891 0.091842206 0.106539317 0.169433269 0.123042318 0.10530184 0.119349094 0.1028013 0.106492961 0.080456171 0.078382639 0.168562204 0.106727945 0.079271752 0.244508257 0.08295971 0.131369249 0.119916718 0.126171385 0.103073847 0.102407676 0.097024951 0.078412532 0.095135167 0.071790724 0.137718225 0.072363953 0.083638874 0.123850951 0.091443418 0.102505525 0.107346152 0.07513031 0.129420217 0.080773828 0.116941354 0.105037605 0.094769509 0.092636352 0.102962564 0.105341558 0.118348659 0.108874188 0.083627697 0.08056015 0.088744393 0.097805724 0.127641865 0.072461922 0.090769464 0.097095149 0.134365383 0.078434554 0.109784859 0.080095201 0.134872312 0.092657331 0.087650291 0.072365815 0.115948819 0.076587207 0.120853427 0.105891026 0.087205598 0.070544316 0.074660693 0.084532242 0.072316559 0.16014949 0.112697027 0.109235019 0.063109175 0.113502198 0.084709415 0.071715006 0.228695021 0.137391404 0.123080038 0.099816453 0.201434062 0.153743526 0.082097144 0.07589632 0.042508167 0.113023435 0.105906513 0.109341512 0.040454888 0.118900212 0.09691332 0.056980418 0.106694057 0.077529145 0.118676978 0.15166021 0.086225529 alpha-Glucose 0.058046281 0.129771336 0.13682219 0.045031677 0.027026993 0.08983777 0.097750846 0.065216664 0.04796941 0.043335721 0.1550034 0.026347388 0.059745125 0.055699968 0.083319821 0.053462617 0.300669659 0.055920756 0.039404541 0.056413907 0.033783719 0.024666059 0.098896302 0.103734872 0.091326913 0.047972849 0.135307546 0.032842267 0.103763025 0.03579018 0.091288994 0.109530201 0.105218769 0.042002948 0.004587526 0.026558186 0.043147082 0.013551286 0.026394889 0.022936848 0.060453651 0.167592372 0.211596222 0.033218654 0.044086825 0.163626781 0.098205109 0.087152003 0.078285425 0.056959033 0.06204941 0.191841477 0.065295061 0.179428594 0.050377518 0.245014354 0.153988 0.044484476 0.018798529 0.027779665 0.067648647 0.044186771 0.070131207 0.128180776 0.062437309 0.111308224 0.08317329 0.115754645 0.218718689 0.177438367 0.178737808 0.05940438 0.059749995 0.250706338 0.110420639 0.095018982 0.099763406 0.072934779 0.055560907 0.065997888 0.083036763 0.020959925 0.161711937 0.165962606 0.078816797 0.310320654 0.298526815 0.168645034 0.117635232 0.210055186 0.038621636 0.020525166 0.203855854 0.086184914 0.05434763 0.141618672 0.076975618 0.211686657 0.21406942 0.196176161 0.022639678 0.483878567 0.214966585 0.145249903 0.0898288 0.174240658 0.119972298 0.396960841 0.126564536 0.532977216 0.381245619 0.066332203 0.137988162 0.065675581 0.069236843 0.043643743 beta-Galactose 0.21250459 0.11392448 0.060580579 0.189301087 0.188854927 0.169010126 0.116310774 0.053525033 0.227567157 0.279424495 0.242825915 0.17901142 0.22221246 0.20033679 0.237149289 0.183072669 0.204769866 0.199715131 0.108982568 0.178404002 0.152671956 0.174933623 0.26252012 0.123393019 0.172628637 0.156570264 0.052718198 0.174455476 0.245174183 0.216214523 0.124295931 0.230060882 0.187132615 0.220920286 0.18615546 0.203521522 0.217001832 0.179273612 0.114152893 0.135534293 0.062976206 0.068843506 0.104672514 0.042154569 0.074207005 0.107305635 0.107325188 0.038709836 0.044283815 0.076034657 0.047333403 0.141604485 0.080558454 0.085262034 0.116090877 0.092956144 0.06214538 0.046682975 0.049990352 0.084042351 0.061771394 0.051382041 0.040331744 0.11944915 0.13501008 0.108483379 0.101879215 0.145519012 0.114548894 0.066405888 0.071031149 0.043043584 0.091356731 0.093707882 0.045051626 0.050529118 0.12192641 0.06952416 0.040742424 0.063914436 0.088540666 0.11063334 0.105828235 0.260283755 0.149526673 0.116527204 0.125437057 0.066505796 0.160474078 0.132072407 0.136806966 0.073228495 0.101376632 0.176715873 0.082646427 0.097160591 0.149344588 0.144125414 0.159690029 0.207634005 0.081898029 0.135548485 0.087793783 0.06604531 0.1557987 0.176580504 0.086961081 0.04759279 0.216494684 0.112833034 0.140547338 0.124063224 0.068723226 0.068194132 0.105555906 0.09612589 beta-Glucose 0.164800078 0.182584205 0.253169416 0.099630522 0.095066809 0.18028557 0.170958445 0.123804725 0.11314953 0.120772236 0.239403198 0.113526968 0.135703233 0.101084152 0.192605681 0.10693189 0.454681467 0.132835576 0.087796239 0.093981255 0.084261241 0.076240352 0.222095174 0.143450048 0.159661045 0.111170512 0.240676196 0.072400029 0.136317345 0.12667128 0.105289684 0.217769799 0.184807248 0.128731027 0.115639144 0.08202643 0.106055708 0.075706624 0.097078443 0.098630014 0.025635669 0.193322089 0.211253764 0.098170235 0.102073227 0.319818196 0.182688081 0.158439782 0.16750866 0.115130108 0.147428892 0.37139406 0.133302162 0.326185703 0.127313333 0.380563052 0.214564631 0.179444839 0.076544905 0.142702392 0.150463062 0.16565228 0.152512882 0.235754689 0.128353144 0.203810583 0.165633027 0.204462066 0.337895829 0.249336875 0.360408275 0.109779424 0.183594505 0.378496273 0.175145917 0.173894942 0.193798745 0.145431089 0.13030009 0.161443026 0.169478063 0.074462554 0.285009855 0.319122334 0.11995605 0.46723686 0.498381305 0.258598939 0.26361027 0.282833754 0.13213651 0.082144848 0.38797974 0.260722641 0.103296626 0.182149187 0.345960506 0.322704606 0.433937271 0.359579512 0.091667226 0.608175462 0.243245556 0.162374782 0.235953825 0.282772385 0.155654901 0.447799093 0.330793646 0.758381745 0.570838774 0.272623383 0.180017258 0.113356166 0.115434178 0.110197795 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name HMDB PubChem KEGG 1-Methylhistidine HMDB0000001 92105 C01152 3-Hydroxybutyrate HMDB0000011 441 C01089 4-Aminohippurate HMDB0001867 2148 D06890 6-Methyladenine HMDB0002099 67955 C08434 Adenine HMDB0000034 190 C00147 Adenosine monophosphate HMDB0000045 6083 C00020 Alanine HMDB0000161 5950 C00041 Arginine HMDB0000517 6322 C00062 Asparagine HMDB0000168 6267 C00152 Aspartate HMDB0000191 5960 C00049 Betaine HMDB0000043 247 C00719 Butyrate HMDB0000039 264 C00246 Choline HMDB0000097 305 C00114 Creatine HMDB0000064 586 C00300 Cytidine HMDB0000089 6175 C00475 Fumarate HMDB0000134 444972 C00122 Glutamate HMDB0000148 33032 C00025 Glutamine HMDB0000641 5961 C00064 Glycerol HMDB0000131 753 C00116 Glycerolphosphorylcholine HMDB0000086 657272 C00670 Glycine HMDB0000123 750 C00037 Glycogen HMDB0000757 439177 C00182 Guanosine HMDB0000133 6802 C00387 Histidine HMDB0000177 6274 C00135 Inosine HMDB0000195 6021 C00294 Isoleucine HMDB0000172 6306 C00407 Lactate HMDB0000190 107689 C00186 Leucine HMDB0000687 6106 C00123 Lysine HMDB0000182 5962 C00047 Malonate HMDB0000691 867 C00383 Methionine HMDB0000696 6137 C00073 Methylmalonate HMDB0000202 487 C02170 myo-Inositol HMDB0000211 NA C00137 N-Dimethylglycine HMDB0000092 673 C01026 N-Acetylaspartate HMDB0000812 65065 C01042 Nicotinamide HMDB0001406 936 C00153 Nicotinamide adenine dinucleotide HMDB0000902 5892 C00003 Nicotinate HMDB0001488 938 C00253 Phenylalanine HMDB0000159 6140 C00079 Phosphocholine HMDB0001565 1014 C00588 Sarcosine HMDB0000271 1088 C00213 Serine HMDB0000187 5951 C00065 Succinate HMDB0000254 1110 C00042 Succinimide HMDB0240653 NA C07273 Taurine HMDB0000251 1123 C00245 Trimethylamino N-oxide HMDB0000925 1145 C01104 Tryptophan HMDB0000929 6305 C00078 Tyrosine HMDB0000158 6057 C00082 Unknown-1 NA NA NA Unknown-2 NA NA NA Unknown-3 NA NA NA Unknown-4 NA NA NA Uracil HMDB0000300 1174 C00106 Uridine HMDB0000296 6029 C00299 Uridine diphosphate glucose HMDB0000286 8629 C00029 Valine HMDB0000883 6287 C00183 alpha-Amino-N-butyrate HMDB0000452 80283 C02356 alpha-Glucose HMDB0003345 79025 C00267 beta-Galactose HMDB0003449 439353 C00962 beta-Glucose HMDB0000122 5793 C00031 METABOLITES_END #END