#METABOLOMICS WORKBENCH mmorenoc_20170726_064952 DATATRACK_ID:1170 STUDY_ID:ST000826 ANALYSIS_ID:AN001414 PROJECT_ID:PR000588 VERSION 1 CREATED_ON September 15, 2017, 12:12 pm #PROJECT PR:PROJECT_TITLE CHEAR Christiani NMR PR:PROJECT_SUMMARY Human cord blood serum samples (200) were provided by David Christiani. The 200 PR:PROJECT_SUMMARY study samples, total pool samples, and external CHEAR Plasma Reference Material PR:PROJECT_SUMMARY samples were prepared for NMR data collection and signals were library matched PR:PROJECT_SUMMARY to metabolites to determine semi-quantitative concentration data using Chenomx PR:PROJECT_SUMMARY NMR Suite 8.1. PR:INSTITUTE RTI International PR:DEPARTMENT ACP PR:LAST_NAME Fennell PR:FIRST_NAME Timothy PR:ADDRESS 3040 East Cornwallis rd, Durham, NORTH CAROLINA, 27709, USA PR:EMAIL fennell@rti.org PR:PHONE 9194852781 #STUDY ST:STUDY_TITLE CHEAR Christiani NMR ST:STUDY_SUMMARY Human cord blood serum samples (200) were provided by David Christiani. The 200 ST:STUDY_SUMMARY study samples, total pool samples, and external CHEAR Plasma Reference Material ST:STUDY_SUMMARY samples were prepared for NMR data collection and signals were library matched ST:STUDY_SUMMARY to metabolites to determine semi-quantitative concentration data using Chenomx ST:STUDY_SUMMARY NMR Suite 8.1. ST:INSTITUTE RTI International ST:LAST_NAME Fennell ST:FIRST_NAME Timothy ST:ADDRESS 3040 E Cornwallis Rd, Durham, NC 27709 ST:EMAIL fennell@rti.org ST:PHONE 9194852781 ST:TOTAL_SUBJECTS 200 ST:STUDY_COMMENTS Due to sample volume limitations: study samples, study pools, and CHEAR ST:STUDY_COMMENTS reference samples were prepared using 150 uL of sample and diluted with 100 ul ST:STUDY_COMMENTS of 0.9% Saline buffer. This is a deviation from the CHEAR Proficiency testing in ST:STUDY_COMMENTS which 400 ul of CHEAR reference sample was used and diluted with 300 uL of 0.9% ST:STUDY_COMMENTS Saline buffer. Samples were then transfered into a 3 mm NMR tube, in this study, ST:STUDY_COMMENTS as opposed to a 5 mm NMR tube for the Proficiency testing. Data for this study ST:STUDY_COMMENTS were acquired on a 600 MHz Bruker NMR spectrometer. Data for the procficiency ST:STUDY_COMMENTS testing were acquired on a 700 MHz Bruker NMR spectrometer. #SUBJECT SU:SUBJECT_TYPE Human Chord Blood Serum SU:SUBJECT_SPECIES Homo sapiens SU:TAXONOMY_ID 9606 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data SUBJECT_SAMPLE_FACTORS - C-GTPT7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_1 SUBJECT_SAMPLE_FACTORS - C-HH3D7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_10 SUBJECT_SAMPLE_FACTORS - C-QAQF9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_100 SUBJECT_SAMPLE_FACTORS - C-QCPY4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_101 SUBJECT_SAMPLE_FACTORS - C-QDRT0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_102 SUBJECT_SAMPLE_FACTORS - C-QEUC3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_103 SUBJECT_SAMPLE_FACTORS - C-QHZ29-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_104 SUBJECT_SAMPLE_FACTORS - C-QJ3B8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_105 SUBJECT_SAMPLE_FACTORS - C-QP2F7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_106 SUBJECT_SAMPLE_FACTORS - C-QS0G0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_107 SUBJECT_SAMPLE_FACTORS - C-QVLT7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_108 SUBJECT_SAMPLE_FACTORS - C-R2L95-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_109 SUBJECT_SAMPLE_FACTORS - C-HHEB4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_11 SUBJECT_SAMPLE_FACTORS - C-R2NR8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_110 SUBJECT_SAMPLE_FACTORS - C-RBJV8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_111 SUBJECT_SAMPLE_FACTORS - C-RJEY8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_112 SUBJECT_SAMPLE_FACTORS - C-RMX86-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_113 SUBJECT_SAMPLE_FACTORS - C-RNPY8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_114 SUBJECT_SAMPLE_FACTORS - C-RRUA8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_115 SUBJECT_SAMPLE_FACTORS - C-RV3J3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_116 SUBJECT_SAMPLE_FACTORS - C-RYUL8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_117 SUBJECT_SAMPLE_FACTORS - C-RYXN0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_118 SUBJECT_SAMPLE_FACTORS - C-S58F8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_119 SUBJECT_SAMPLE_FACTORS - C-HHLS9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_12 SUBJECT_SAMPLE_FACTORS - C-S6ZN4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_120 SUBJECT_SAMPLE_FACTORS - C-SB7K0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_121 SUBJECT_SAMPLE_FACTORS - C-SD2X1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_122 SUBJECT_SAMPLE_FACTORS - C-SDRB8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_123 SUBJECT_SAMPLE_FACTORS - C-SGXW0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_124 SUBJECT_SAMPLE_FACTORS - C-SLY52-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_125 SUBJECT_SAMPLE_FACTORS - C-SNM00-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_126 SUBJECT_SAMPLE_FACTORS - C-SXTV8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_127 SUBJECT_SAMPLE_FACTORS - C-T3S45-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_128 SUBJECT_SAMPLE_FACTORS - C-TAWT9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_129 SUBJECT_SAMPLE_FACTORS - C-TKCG6-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_130 SUBJECT_SAMPLE_FACTORS - C-TLVX7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_131 SUBJECT_SAMPLE_FACTORS - C-TNYH5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_132 SUBJECT_SAMPLE_FACTORS - C-U4QU1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_133 SUBJECT_SAMPLE_FACTORS - C-U9LA9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_134 SUBJECT_SAMPLE_FACTORS - C-UDH13-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_135 SUBJECT_SAMPLE_FACTORS - C-UDS04-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_136 SUBJECT_SAMPLE_FACTORS - C-UDW42-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_137 SUBJECT_SAMPLE_FACTORS - C-UHYH8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_138 SUBJECT_SAMPLE_FACTORS - C-UJZG4-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_139 SUBJECT_SAMPLE_FACTORS - C-HKGT5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_14 SUBJECT_SAMPLE_FACTORS - C-UK244-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_140 SUBJECT_SAMPLE_FACTORS - C-UP2H9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_141 SUBJECT_SAMPLE_FACTORS - C-URD82-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_142 SUBJECT_SAMPLE_FACTORS - C-USTJ3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_143 SUBJECT_SAMPLE_FACTORS - C-UX5M7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_144 SUBJECT_SAMPLE_FACTORS - C-UY789-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_145 SUBJECT_SAMPLE_FACTORS - C-V5V37-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_146 SUBJECT_SAMPLE_FACTORS - C-V9LA8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_147 SUBJECT_SAMPLE_FACTORS - C-VB177-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_148 SUBJECT_SAMPLE_FACTORS - C-VBBW0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_149 SUBJECT_SAMPLE_FACTORS - C-HKPH3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_15 SUBJECT_SAMPLE_FACTORS - C-VK1M9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_150 SUBJECT_SAMPLE_FACTORS - C-VKGE4-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_151 SUBJECT_SAMPLE_FACTORS - C-VQGD3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_152 SUBJECT_SAMPLE_FACTORS - C-VVU44-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_153 SUBJECT_SAMPLE_FACTORS - C-VW163-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_154 SUBJECT_SAMPLE_FACTORS - C-VW1P6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_155 SUBJECT_SAMPLE_FACTORS - C-W0KU3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_156 SUBJECT_SAMPLE_FACTORS - C-W6ZF8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_157 SUBJECT_SAMPLE_FACTORS - C-W74S5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_158 SUBJECT_SAMPLE_FACTORS - C-W9RY8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_159 SUBJECT_SAMPLE_FACTORS - C-HM8N9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_16 SUBJECT_SAMPLE_FACTORS - C-WE3U1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_160 SUBJECT_SAMPLE_FACTORS - C-WH892-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_161 SUBJECT_SAMPLE_FACTORS - C-WKE27-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_162 SUBJECT_SAMPLE_FACTORS - C-WKU70-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_163 SUBJECT_SAMPLE_FACTORS - C-WLZ32-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_164 SUBJECT_SAMPLE_FACTORS - C-WMXM5-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_165 SUBJECT_SAMPLE_FACTORS - C-X1ZY6-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_166 SUBJECT_SAMPLE_FACTORS - C-X79E0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_167 SUBJECT_SAMPLE_FACTORS - C-X7HQ9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_168 SUBJECT_SAMPLE_FACTORS - C-XC0R5-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_169 SUBJECT_SAMPLE_FACTORS - C-HMS81-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_17 SUBJECT_SAMPLE_FACTORS - C-XD2A7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_170 SUBJECT_SAMPLE_FACTORS - C-XDCY7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_171 SUBJECT_SAMPLE_FACTORS - C-XDYH3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_172 SUBJECT_SAMPLE_FACTORS - C-XGHV3-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_173 SUBJECT_SAMPLE_FACTORS - C-XJJ07-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_174 SUBJECT_SAMPLE_FACTORS - C-XL199-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_175 SUBJECT_SAMPLE_FACTORS - C-XNA80-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_176 SUBJECT_SAMPLE_FACTORS - C-XSMB5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_177 SUBJECT_SAMPLE_FACTORS - C-XUPK8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_178 SUBJECT_SAMPLE_FACTORS - C-XZMK0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_179 SUBJECT_SAMPLE_FACTORS - C-HTCA1-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_18 SUBJECT_SAMPLE_FACTORS - C-Y0QW1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_180 SUBJECT_SAMPLE_FACTORS - C-Y1EG6-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_181 SUBJECT_SAMPLE_FACTORS - C-Y4G40-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_182 SUBJECT_SAMPLE_FACTORS - C-Y5941-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_183 SUBJECT_SAMPLE_FACTORS - C-Y6R10-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_184 SUBJECT_SAMPLE_FACTORS - C-Y7GG1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_185 SUBJECT_SAMPLE_FACTORS - C-Y7R42-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_186 SUBJECT_SAMPLE_FACTORS - C-Y8U96-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_187 SUBJECT_SAMPLE_FACTORS - C-YD7L7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_188 SUBJECT_SAMPLE_FACTORS - C-YF3W3-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_189 SUBJECT_SAMPLE_FACTORS - C-HXV83-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_19 SUBJECT_SAMPLE_FACTORS - C-YF9D8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_190 SUBJECT_SAMPLE_FACTORS - C-YMFQ2-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_191 SUBJECT_SAMPLE_FACTORS - C-YNUT7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_192 SUBJECT_SAMPLE_FACTORS - C-YQQM1-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_193 SUBJECT_SAMPLE_FACTORS - C-YS5B8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_194 SUBJECT_SAMPLE_FACTORS - C-YT6S7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_195 SUBJECT_SAMPLE_FACTORS - C-YT9Y1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_196 SUBJECT_SAMPLE_FACTORS - C-YZM73-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_197 SUBJECT_SAMPLE_FACTORS - C-Z5FN9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_198 SUBJECT_SAMPLE_FACTORS - C-Z9M00-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_199 SUBJECT_SAMPLE_FACTORS - C-GWR32-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_2 SUBJECT_SAMPLE_FACTORS - C-HZ9K6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_20 SUBJECT_SAMPLE_FACTORS - C-Z9QK7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_200 SUBJECT_SAMPLE_FACTORS - C-HZLV3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_21 SUBJECT_SAMPLE_FACTORS - C-J2869-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_22 SUBJECT_SAMPLE_FACTORS - C-J2DF2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_23 SUBJECT_SAMPLE_FACTORS - C-J4UV6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_24 SUBJECT_SAMPLE_FACTORS - C-JDAJ6-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_25 SUBJECT_SAMPLE_FACTORS - C-JG1G3-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_26 SUBJECT_SAMPLE_FACTORS - C-JGTC7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_27 SUBJECT_SAMPLE_FACTORS - C-JHFP0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_28 SUBJECT_SAMPLE_FACTORS - C-JK4L0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_29 SUBJECT_SAMPLE_FACTORS - C-GXF72-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_3 SUBJECT_SAMPLE_FACTORS - C-JPU80-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_30 SUBJECT_SAMPLE_FACTORS - C-JVGS1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_31 SUBJECT_SAMPLE_FACTORS - C-JWAY2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_32 SUBJECT_SAMPLE_FACTORS - C-JY095-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_33 SUBJECT_SAMPLE_FACTORS - C-K0Q00-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_34 SUBJECT_SAMPLE_FACTORS - C-K2CP0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_35 SUBJECT_SAMPLE_FACTORS - C-K39B9-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_36 SUBJECT_SAMPLE_FACTORS - C-K6PV5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_37 SUBJECT_SAMPLE_FACTORS - C-KADN0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_38 SUBJECT_SAMPLE_FACTORS - C-KBHQ8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_39 SUBJECT_SAMPLE_FACTORS - C-GY7T1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_4 SUBJECT_SAMPLE_FACTORS - C-KCXU1-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_40 SUBJECT_SAMPLE_FACTORS - C-KDD41-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_41 SUBJECT_SAMPLE_FACTORS - C-KDJS6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_42 SUBJECT_SAMPLE_FACTORS - C-KH9B3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_43 SUBJECT_SAMPLE_FACTORS - C-KHEW5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_44 SUBJECT_SAMPLE_FACTORS - C-KHU38-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_45 SUBJECT_SAMPLE_FACTORS - C-KJXQ4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_46 SUBJECT_SAMPLE_FACTORS - C-KK418-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_47 SUBJECT_SAMPLE_FACTORS - C-KLF75-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_48 SUBJECT_SAMPLE_FACTORS - C-KNVW4-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_49 SUBJECT_SAMPLE_FACTORS - C-H1NH2-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_5 SUBJECT_SAMPLE_FACTORS - C-KVU29-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_50 SUBJECT_SAMPLE_FACTORS - C-KYRT0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_51 SUBJECT_SAMPLE_FACTORS - C-L09R9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_52 SUBJECT_SAMPLE_FACTORS - C-L18P2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_53 SUBJECT_SAMPLE_FACTORS - C-L3VQ6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_54 SUBJECT_SAMPLE_FACTORS - C-L6W26-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_55 SUBJECT_SAMPLE_FACTORS - C-L81U3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_56 SUBJECT_SAMPLE_FACTORS - C-LKYY2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_57 SUBJECT_SAMPLE_FACTORS - C-LREB8-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_58 SUBJECT_SAMPLE_FACTORS - C-LS6D5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_59 SUBJECT_SAMPLE_FACTORS - C-H4KC0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_6 SUBJECT_SAMPLE_FACTORS - C-LSVC6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_60 SUBJECT_SAMPLE_FACTORS - C-M4GD6-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_61 SUBJECT_SAMPLE_FACTORS - C-MFXB4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_62 SUBJECT_SAMPLE_FACTORS - C-MKL04-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_63 SUBJECT_SAMPLE_FACTORS - C-N1099-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_64 SUBJECT_SAMPLE_FACTORS - C-N12H4-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_65 SUBJECT_SAMPLE_FACTORS - C-N2BA1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_66 SUBJECT_SAMPLE_FACTORS - C-N3BN0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_67 SUBJECT_SAMPLE_FACTORS - C-N6DP7-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_68 SUBJECT_SAMPLE_FACTORS - C-N7HL0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_69 SUBJECT_SAMPLE_FACTORS - C-H78F5-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_7 SUBJECT_SAMPLE_FACTORS - C-N88M2-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_70 SUBJECT_SAMPLE_FACTORS - C-N8KQ4-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_71 SUBJECT_SAMPLE_FACTORS - C-NA4B0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_72 SUBJECT_SAMPLE_FACTORS - C-NH5F5-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_73 SUBJECT_SAMPLE_FACTORS - C-NJ771-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_74 SUBJECT_SAMPLE_FACTORS - C-NL6M0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_75 SUBJECT_SAMPLE_FACTORS - C-NLCG0-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_76 SUBJECT_SAMPLE_FACTORS - C-NPVS5-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_77 SUBJECT_SAMPLE_FACTORS - C-NRV99-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_78 SUBJECT_SAMPLE_FACTORS - C-NT7U3-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_79 SUBJECT_SAMPLE_FACTORS - C-H7K53-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_8 SUBJECT_SAMPLE_FACTORS - C-NTCH0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_80 SUBJECT_SAMPLE_FACTORS - C-NW5H8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_81 SUBJECT_SAMPLE_FACTORS - C-NXNQ0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_82 SUBJECT_SAMPLE_FACTORS - C-P2D53-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_83 SUBJECT_SAMPLE_FACTORS - C-P2XV1-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_84 SUBJECT_SAMPLE_FACTORS - C-P4YE3-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_85 SUBJECT_SAMPLE_FACTORS - C-P5B90-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_86 SUBJECT_SAMPLE_FACTORS - C-P5JW6-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_87 SUBJECT_SAMPLE_FACTORS - C-P6D39-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_88 SUBJECT_SAMPLE_FACTORS - C-PA2S2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_89 SUBJECT_SAMPLE_FACTORS - C-HC567-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_9 SUBJECT_SAMPLE_FACTORS - C-PBJU2-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_90 SUBJECT_SAMPLE_FACTORS - C-PE2U9-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_91 SUBJECT_SAMPLE_FACTORS - C-PE8R0-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_92 SUBJECT_SAMPLE_FACTORS - C-PELM1-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_93 SUBJECT_SAMPLE_FACTORS - C-PNLN8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_94 SUBJECT_SAMPLE_FACTORS - C-PU1K7-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_95 SUBJECT_SAMPLE_FACTORS - C-PURL2-S-01 Pool Group:Pool 1 | Sample Type:Study Sample NMR DRCC ID=N_96 SUBJECT_SAMPLE_FACTORS - C-PUU67-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_97 SUBJECT_SAMPLE_FACTORS - C-Q0XK8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_98 SUBJECT_SAMPLE_FACTORS - C-Q11N8-S-01 Pool Group:Pool 2 | Sample Type:Study Sample NMR DRCC ID=N_99 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_1 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_1 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_2 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_2 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_3 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_3 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_4 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_4 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_5 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_5 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_6 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_6 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_7 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_7 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_8 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_8 SUBJECT_SAMPLE_FACTORS - PlasmaRef_20160726_9 Pool Group:CHEAR Reference | Sample Type:Reference Sample NMR DRCC ID=NEP_9 SUBJECT_SAMPLE_FACTORS - CHE000278 0200 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_1 SUBJECT_SAMPLE_FACTORS - CHE000278 1100 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_10 SUBJECT_SAMPLE_FACTORS - CHE000278 0300 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_2 SUBJECT_SAMPLE_FACTORS - CHE000278 0400 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_3 SUBJECT_SAMPLE_FACTORS - CHE000278 0500 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_4 SUBJECT_SAMPLE_FACTORS - CHE000278 0600 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_5 SUBJECT_SAMPLE_FACTORS - CHE000278 0700 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_6 SUBJECT_SAMPLE_FACTORS - CHE000278 0800 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_7 SUBJECT_SAMPLE_FACTORS - CHE000278 0900 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_8 SUBJECT_SAMPLE_FACTORS - CHE000278 1000 Pool Group:Pool 1 | Sample Type:Pool NMR DRCC ID=NP1_9 SUBJECT_SAMPLE_FACTORS - CHE000279 0200 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_1 SUBJECT_SAMPLE_FACTORS - CHE000279 1100 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_10 SUBJECT_SAMPLE_FACTORS - CHE000279 1200 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_11 SUBJECT_SAMPLE_FACTORS - CHE000279 0300 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_2 SUBJECT_SAMPLE_FACTORS - CHE000279 0400 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_3 SUBJECT_SAMPLE_FACTORS - CHE000279 0500 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_4 SUBJECT_SAMPLE_FACTORS - CHE000279 0600 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_5 SUBJECT_SAMPLE_FACTORS - CHE000279 0700 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_6 SUBJECT_SAMPLE_FACTORS - CHE000279 0800 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_7 SUBJECT_SAMPLE_FACTORS - CHE000279 0900 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_8 SUBJECT_SAMPLE_FACTORS - CHE000279 1000 Pool Group:Pool 2 | Sample Type:Pool NMR DRCC ID=NP2_9 #COLLECTION CO:COLLECTION_SUMMARY Human Chord Blood serum CO:SAMPLE_TYPE Serum CO:STORAGE_CONDITIONS -80 C #TREATMENT TR:TREATMENT_SUMMARY N/A #SAMPLEPREP SP:SAMPLEPREP_SUMMARY A total of 200 serum samples and 2 CHEAR Serum Reference Material aliquots were SP:SAMPLEPREP_SUMMARY thawed on ice for sample preparation, 150 uL of the thawed serum sample were SP:SAMPLEPREP_SUMMARY transferred to labeled tubes on ice where they were mixed with 100 uL of NMR SP:SAMPLEPREP_SUMMARY 0.9% Saline Solution containing 2.5 mM formate. Samples were randomly assigned SP:SAMPLEPREP_SUMMARY to one of two pools, either Pool 1 or Pool 2. An aliquot of 15 uL of each study SP:SAMPLEPREP_SUMMARY sample was added to create their corresponding pools. A 150 uL aliquot was taken SP:SAMPLEPREP_SUMMARY from each pool to make 10 aliqouts. Another nine pools from the CHEAR reference SP:SAMPLEPREP_SUMMARY material samples were aliquoted and processed along with the study samples and SP:SAMPLEPREP_SUMMARY study pools. Pool aliquots were processed identically to the study samples, as SP:SAMPLEPREP_SUMMARY described above. Sample tubes were vortexed for 4 minutes on a multi-tube SP:SAMPLEPREP_SUMMARY vortexer and centrifuged at 16,000 rcf for 4 mininutes. A volume of 250 uL was SP:SAMPLEPREP_SUMMARY taken from each sample supernatant and transferred into a pre-labeled 3mm NMR SP:SAMPLEPREP_SUMMARY tube for data acquisition on a 600 MHz spectrometer. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE - CH:INSTRUMENT_NAME - CH:COLUMN_NAME - #ANALYSIS AN:DATA_FORMAT fid, 1r AN:ANALYSIS_TYPE NMR #NMR NM:INSTRUMENT_NAME Bruker 600 MHz NM:INSTRUMENT_TYPE FT-NMR NM:NMR_EXPERIMENT_TYPE 1D-1H NM:NMR_COMMENTS Data for this study were acquired on a 600 MHz Bruker NMR spectrometer. Data for NM:NMR_COMMENTS the procficiency testing were acquired on a 700 MHz Bruker NMR spectrometer. NM:FIELD_FREQUENCY_LOCK Deuterium NM:STANDARD_CONCENTRATION 1 mM NM:SPECTROMETER_FREQUENCY 600 MHz NM:NMR_PROBE 5 mm ATMA Cryoprobe NM:NMR_SOLVENT D2O NM:NMR_TUBE_SIZE 3 mm NM:SHIMMING_METHOD Topshim NM:PULSE_SEQUENCE cpmgpr1d NM:WATER_SUPPRESSION yes NM:PULSE_WIDTH 8.99 usec NM:POWER_LEVEL 25.119 W NM:RECEIVER_GAIN 4 NM:OFFSET_FREQUENCY 2817.40 Hz NM:CHEMICAL_SHIFT_REF_CPD Formate NM:TEMPERATURE 298.1 K NM:NUMBER_OF_SCANS 128 NM:DUMMY_SCANS 4 NM:ACQUISITION_TIME 4.5 s NM:RELAXATION_DELAY 2 s NM:SPECTRAL_WIDTH 12.0 ppm NM:NUM_DATA_POINTS_ACQUIRED 65536 NM:REAL_DATA_POINTS 32768 NM:LINE_BROADENING 0.5 Hz NM:ZERO_FILLING yes NM:APODIZATION Lorentzian NM:BASELINE_CORRECTION_METHOD Polynomial NM:CHEMICAL_SHIFT_REF_STD Formate #NMR_METABOLITE_DATA NMR_METABOLITE_DATA:UNITS uM NMR_METABOLITE_DATA_START Samples C-GTPT7-S-01 C-GWR32-S-01 C-GXF72-S-01 C-GY7T1-S-01 C-H1NH2-S-01 C-H4KC0-S-01 C-H78F5-S-01 C-H7K53-S-01 C-HC567-S-01 C-HH3D7-S-01 C-HHEB4-S-01 C-HHLS9-S-01 C-HKGT5-S-01 C-HKPH3-S-01 C-HM8N9-S-01 C-HMS81-S-01 C-HTCA1-S-01 C-HXV83-S-01 C-HZ9K6-S-01 C-HZLV3-S-01 C-J2869-S-01 C-J2DF2-S-01 C-J4UV6-S-01 C-JDAJ6-S-01 C-JG1G3-S-01 C-JGTC7-S-01 C-JHFP0-S-01 C-JK4L0-S-01 C-JPU80-S-01 C-JVGS1-S-01 C-JWAY2-S-01 C-JY095-S-01 C-K0Q00-S-01 C-K2CP0-S-01 C-K39B9-S-01 C-K6PV5-S-01 C-KADN0-S-01 C-KBHQ8-S-01 C-KCXU1-S-01 C-KDD41-S-01 C-KDJS6-S-01 C-KH9B3-S-01 C-KHEW5-S-01 C-KHU38-S-01 C-KJXQ4-S-01 C-KK418-S-01 C-KLF75-S-01 C-KNVW4-S-01 C-KVU29-S-01 C-KYRT0-S-01 C-L09R9-S-01 C-L18P2-S-01 C-L3VQ6-S-01 C-L6W26-S-01 C-L81U3-S-01 C-LKYY2-S-01 C-LREB8-S-01 C-LS6D5-S-01 C-LSVC6-S-01 C-M4GD6-S-01 C-MFXB4-S-01 C-MKL04-S-01 C-N1099-S-01 C-N12H4-S-01 C-N2BA1-S-01 C-N3BN0-S-01 C-N6DP7-S-01 C-N7HL0-S-01 C-N88M2-S-01 C-N8KQ4-S-01 C-NA4B0-S-01 C-NH5F5-S-01 C-NJ771-S-01 C-NL6M0-S-01 C-NLCG0-S-01 C-NPVS5-S-01 C-NRV99-S-01 C-NT7U3-S-01 C-NTCH0-S-01 C-NW5H8-S-01 C-NXNQ0-S-01 C-P2D53-S-01 C-P2XV1-S-01 C-P4YE3-S-01 C-P5B90-S-01 C-P5JW6-S-01 C-P6D39-S-01 C-PA2S2-S-01 C-PBJU2-S-01 C-PE2U9-S-01 C-PE8R0-S-01 C-PELM1-S-01 C-PNLN8-S-01 C-PU1K7-S-01 C-PURL2-S-01 C-PUU67-S-01 C-Q0XK8-S-01 C-Q11N8-S-01 C-QAQF9-S-01 C-QCPY4-S-01 C-QDRT0-S-01 C-QEUC3-S-01 C-QHZ29-S-01 C-QJ3B8-S-01 C-QP2F7-S-01 C-QS0G0-S-01 C-QVLT7-S-01 C-R2L95-S-01 C-R2NR8-S-01 C-RBJV8-S-01 C-RJEY8-S-01 C-RMX86-S-01 C-RNPY8-S-01 C-RRUA8-S-01 C-RV3J3-S-01 C-RYUL8-S-01 C-RYXN0-S-01 C-S58F8-S-01 C-S6ZN4-S-01 C-SB7K0-S-01 C-SD2X1-S-01 C-SDRB8-S-01 C-SGXW0-S-01 C-SLY52-S-01 C-SNM00-S-01 C-SXTV8-S-01 C-T3S45-S-01 C-TAWT9-S-01 C-TKCG6-S-01 C-TLVX7-S-01 C-TNYH5-S-01 C-U4QU1-S-01 C-U9LA9-S-01 C-UDH13-S-01 C-UDS04-S-01 C-UDW42-S-01 C-UHYH8-S-01 C-UJZG4-S-01 C-UK244-S-01 C-UP2H9-S-01 C-URD82-S-01 C-USTJ3-S-01 C-UX5M7-S-01 C-UY789-S-01 C-V5V37-S-01 C-V9LA8-S-01 C-VB177-S-01 C-VBBW0-S-01 C-VK1M9-S-01 C-VKGE4-S-01 C-VQGD3-S-01 C-VVU44-S-01 C-VW163-S-01 C-VW1P6-S-01 C-W0KU3-S-01 C-W6ZF8-S-01 C-W74S5-S-01 C-W9RY8-S-01 C-WE3U1-S-01 C-WH892-S-01 C-WKE27-S-01 C-WKU70-S-01 C-WLZ32-S-01 C-WMXM5-S-01 C-X1ZY6-S-01 C-X79E0-S-01 C-X7HQ9-S-01 C-XC0R5-S-01 C-XD2A7-S-01 C-XDCY7-S-01 C-XDYH3-S-01 C-XGHV3-S-01 C-XJJ07-S-01 C-XL199-S-01 C-XNA80-S-01 C-XSMB5-S-01 C-XUPK8-S-01 C-XZMK0-S-01 C-Y0QW1-S-01 C-Y1EG6-S-01 C-Y4G40-S-01 C-Y5941-S-01 C-Y6R10-S-01 C-Y7GG1-S-01 C-Y7R42-S-01 C-Y8U96-S-01 C-YD7L7-S-01 C-YF3W3-S-01 C-YF9D8-S-01 C-YMFQ2-S-01 C-YNUT7-S-01 C-YQQM1-S-01 C-YS5B8-S-01 C-YT6S7-S-01 C-YT9Y1-S-01 C-YZM73-S-01 C-Z5FN9-S-01 C-Z9M00-S-01 C-Z9QK7-S-01 PlasmaRef_20160726_1 PlasmaRef_20160726_2 PlasmaRef_20160726_3 PlasmaRef_20160726_4 PlasmaRef_20160726_5 PlasmaRef_20160726_6 PlasmaRef_20160726_7 PlasmaRef_20160726_8 PlasmaRef_20160726_9 CHE000278 0200 CHE000278 1100 CHE000278 0300 CHE000278 0400 CHE000278 0500 CHE000278 0600 CHE000278 0700 CHE000278 0800 CHE000278 0900 CHE000278 1000 CHE000279 0200 CHE000279 1100 CHE000279 1200 CHE000279 0300 CHE000279 0400 CHE000279 0500 CHE000279 0600 CHE000279 0700 CHE000279 0800 CHE000279 0900 CHE000279 1000 Factors Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 2 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:Pool 1 | Sample Type:Study Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:CHEAR Reference | Sample Type:Reference Sample Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 1 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool Pool Group:Pool 2 | Sample Type:Pool 2-Hydroxybutyrate 61.50 37.96 31.99 61.90 48.90 42.70 63.60 32.58 42.00 51.70 61.60 83.80 63.20 60.80 41.20 61.50 26.40 47.90 23.90 28.39 26.10 21.94 21.30 45.30 23.30 24.80 22.20 18.60 51.80 31.20 21.30 24.10 59.30 27.60 32.70 60.70 27.40 24.90 25.37 53.00 64.40 48.40 25.30 33.10 29.20 25.60 35.60 29.27 49.00 50.40 28.60 65.00 19.20 15.34 24.60 55.80 24.10 23.60 40.40 60.00 14.80 35.10 17.00 37.80 20.16 40.90 16.13 14.22 17.97 38.90 27.45 64.30 48.90 31.50 60.20 45.80 21.07 27.20 37.50 25.30 22.36 22.65 40.10 19.80 34.40 9.89 22.90 25.18 21.50 35.25 5.26 17.68 30.00 54.10 22.30 40.10 32.60 25.40 54.20 35.50 22.59 38.00 28.20 43.10 73.10 44.10 98.75 21.10 59.95 45.25 67.20 37.20 28.30 34.80 32.12 36.80 67.60 43.00 51.30 30.50 46.70 16.05 52.80 20.70 16.40 11.40 55.50 27.93 42.60 26.20 24.23 44.00 31.80 31.40 24.30 23.10 12.93 33.40 43.70 80.10 35.30 18.94 11.86 60.00 30.00 18.54 30.19 44.00 38.20 71.80 46.17 41.20 45.00 49.70 64.70 54.90 60.30 39.80 42.20 58.10 21.14 28.10 52.20 33.10 43.00 40.50 28.90 37.80 29.90 45.50 26.70 54.80 30.70 23.24 25.30 57.20 32.70 17.35 45.40 27.90 27.67 33.40 38.50 29.20 40.70 27.10 30.50 62.40 13.96 52.10 47.50 44.40 47.40 27.30 31.60 34.10 25.30 31.90 38.50 56.80 23.62 28.12 20.60 36.55 71.60 24.97 32.62 19.70 47.70 75.90 50.00 21.33 146.90 31.74 57.60 79.90 34.35 67.10 54.60 31.54 42.00 36.34 28.94 61.10 35.20 68.70 62.80 61.70 31.39 3-Aminoisobutyrate 35.80 12.55 13.71 20.40 15.00 25.90 42.20 12.04 22.40 25.60 24.30 42.90 20.90 19.10 23.60 37.40 29.70 26.70 22.00 15.04 13.50 16.11 30.20 35.10 41.40 26.40 19.10 30.90 16.30 18.80 31.90 29.90 38.50 28.60 15.80 29.40 13.50 34.10 24.14 30.90 13.70 29.20 8.80 51.30 37.40 22.80 22.00 23.42 31.70 44.00 29.00 56.40 18.30 17.92 16.00 25.40 11.70 14.70 36.30 17.10 5.87 25.20 30.70 15.62 20.98 28.10 9.87 8.44 11.20 26.90 12.15 46.60 79.10 28.80 27.70 21.40 51.20 13.80 23.70 23.20 14.58 12.37 23.90 7.30 22.60 5.19 11.90 9.05 12.40 24.41 7.43 10.35 24.80 36.50 27.00 25.10 17.20 24.20 21.40 16.70 13.26 20.20 10.60 10.70 39.60 31.30 75.36 23.90 17.73 28.39 28.90 21.10 18.50 19.00 10.45 23.60 17.20 38.90 31.10 25.30 13.80 6.45 33.20 6.60 27.60 4.30 21.90 13.53 17.90 13.20 12.75 9.30 12.40 22.80 4.60 11.00 10.07 31.80 34.00 23.30 23.90 17.90 5.57 34.50 14.30 8.25 21.72 30.10 26.60 25.00 10.33 20.80 8.90 37.00 50.50 29.60 43.10 29.10 22.90 36.70 13.71 5.30 40.50 21.10 8.20 25.60 12.00 22.70 27.90 40.00 15.30 23.50 17.30 3.78 13.00 31.80 28.70 8.24 49.10 17.70 21.00 28.80 24.10 20.60 16.90 29.20 13.10 29.10 11.68 39.90 54.60 32.50 31.70 22.80 28.80 38.80 24.30 28.70 40.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40.70 35.60 17.90 18.27 74.20 11.94 20.20 23.90 11.40 11.40 19.80 10.91 22.20 5.30 12.40 16.00 14.69 30.40 16.50 14.20 15.15 3-Hydroxybutyrate 26.70 28.43 37.60 25.50 14.50 29.70 37.10 19.41 26.10 42.50 40.80 81.70 26.40 39.80 31.10 249.30 36.45 55.70 100.00 84.65 58.80 54.17 46.10 62.40 56.80 15.90 22.60 25.80 25.20 24.30 19.20 71.60 94.50 64.40 29.00 31.30 49.20 27.70 254.13 71.60 61.50 25.90 44.80 92.00 170.10 28.10 38.40 21.33 44.80 37.30 47.40 73.00 27.60 34.26 22.20 62.20 15.70 16.70 30.30 68.90 7.87 46.70 103.10 116.49 54.72 23.60 37.07 17.34 18.80 25.50 14.85 49.50 354.80 64.10 146.90 18.40 59.87 113.10 50.60 27.50 17.92 21.52 30.30 39.70 24.20 6.18 39.10 49.03 48.90 42.93 10.06 46.14 30.10 37.60 32.30 31.80 26.00 67.70 37.70 31.10 25.57 31.20 20.50 29.50 40.90 62.20 62.68 22.30 53.61 27.24 73.60 67.40 57.10 64.40 62.12 32.90 32.60 55.00 66.90 39.90 32.90 14.26 38.70 15.20 127.10 41.30 69.10 13.24 22.30 82.50 23.52 27.80 89.20 27.90 12.80 36.80 63.70 63.10 46.00 63.40 107.30 39.70 38.29 54.70 58.90 60.34 28.21 61.30 52.40 31.40 208.50 23.90 22.60 43.20 70.00 37.00 40.40 35.60 76.40 37.10 35.14 24.90 93.50 26.50 61.40 51.20 29.50 35.20 37.80 78.00 32.40 29.00 17.70 35.56 21.50 39.70 54.60 13.82 92.00 19.20 112.50 78.60 28.90 15.40 34.20 22.60 25.30 43.40 21.93 33.30 43.00 79.10 31.40 19.00 64.00 25.30 18.20 38.10 40.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58.40 62.60 53.10 44.40 91.00 42.90 58.60 56.30 43.80 54.20 44.80 33.78 41.60 38.46 32.92 49.00 35.49 55.50 45.80 44.60 39.91 3-Methyl-2-oxovalerate 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.00 2.74 3.79 2.80 4.59 7.90 5.52 5.11 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Acetate 39.70 40.66 57.31 37.10 43.80 69.00 65.50 45.62 39.90 25.30 40.80 68.40 60.80 2304.90 65.70 134.70 33.00 52.80 69.00 49.00 202.80 43.06 32.80 104.30 85.80 50.30 32.50 77.10 66.30 75.20 26.50 26.80 95.80 76.20 63.40 60.70 55.80 48.10 53.35 52.90 379.20 36.30 64.60 52.60 33.70 49.30 171.70 29.13 52.60 23.60 29.60 41.70 33.80 49.74 30.80 90.90 43.10 46.90 64.80 240.10 42.93 89.40 44.00 96.62 34.42 36.30 58.80 66.25 35.66 28.10 46.65 67.80 90.00 57.00 91.40 44.50 31.20 50.40 47.20 41.80 33.47 46.58 54.00 20.90 49.00 31.79 43.60 95.62 29.00 34.56 34.06 42.84 35.80 32.50 74.10 30.80 53.80 31.70 47.70 32.90 26.25 26.60 40.60 51.80 363.10 33.50 75.00 44.20 161.56 86.47 35.20 69.30 42.00 47.90 80.00 36.60 117.70 41.20 45.00 33.60 42.30 25.51 48.40 13.70 37.80 18.40 115.10 43.20 77.70 46.40 71.68 63.00 32.80 34.40 77.90 39.70 34.98 42.10 51.60 50.30 50.10 48.26 39.71 199.60 53.60 25.84 59.46 30.90 37.20 46.90 195.00 16.50 24.60 40.80 38.80 25.60 31.90 39.60 29.50 40.80 36.14 50.10 62.90 42.00 63.20 28.90 37.30 44.60 37.10 92.30 107.30 71.10 29.90 73.64 53.60 60.20 35.70 63.68 42.10 52.60 75.67 48.60 45.40 43.40 47.50 30.60 36.20 35.10 20.79 72.00 52.50 50.60 72.30 55.70 126.67 44.70 37.50 67.60 49.50 63.50 50.48 49.54 45.10 57.81 65.40 49.68 52.39 46.61 209.00 64.70 77.20 86.80 81.20 71.03 63.90 70.60 73.50 67.20 36.90 43.63 57.70 50.43 44.10 50.30 50.47 47.80 39.60 48.80 46.81 Acetone 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24.10 4.35 7.14 9.60 9.79 21.60 8.67 10.78 9.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Alanine 112.90 154.22 282.26 197.80 276.20 183.90 280.10 204.14 502.80 244.90 224.60 219.10 467.40 194.30 218.80 546.10 280.65 154.50 156.00 259.02 242.40 200.28 150.70 388.80 260.20 247.30 212.20 171.90 246.20 264.50 236.40 90.00 180.90 157.30 259.80 220.60 119.90 112.90 221.90 361.70 389.50 337.30 166.60 185.80 210.20 185.20 199.80 230.00 357.70 148.00 196.70 200.00 326.90 134.30 210.40 285.80 229.30 240.70 213.30 360.80 268.53 511.40 502.20 228.73 241.37 224.00 249.20 218.75 238.04 136.10 226.80 211.00 234.50 125.10 220.00 151.20 143.33 178.60 221.70 154.20 339.44 190.96 413.10 149.90 246.20 166.23 268.00 252.63 419.70 222.72 97.39 391.14 170.80 261.30 190.40 252.70 258.50 443.90 267.10 170.20 157.21 211.10 242.60 165.10 124.40 157.20 267.50 293.40 351.79 269.07 253.90 222.30 191.80 172.30 347.12 251.60 186.40 134.90 119.90 119.70 157.80 304.05 161.60 57.30 89.80 180.80 591.40 291.64 138.70 243.60 313.65 141.90 191.50 337.70 286.80 320.10 197.09 96.50 101.70 226.10 130.60 178.38 185.71 223.50 144.60 238.66 179.45 182.30 418.70 153.10 532.50 130.40 117.20 219.00 161.90 165.10 167.60 140.40 281.00 216.10 198.86 372.60 321.30 444.50 196.90 330.20 149.40 160.00 174.70 648.40 200.30 585.60 161.30 353.50 295.80 403.40 163.70 220.74 144.50 199.20 261.33 192.00 123.80 110.70 154.30 255.60 210.90 198.90 136.02 217.10 271.60 317.40 309.50 169.80 449.47 125.20 297.60 200.10 167.40 194.10 147.95 91.95 67.10 102.62 114.60 134.98 115.43 104.45 174.40 224.60 368.50 314.13 221.80 215.60 198.70 254.10 204.60 211.80 363.20 285.07 216.30 248.04 233.67 335.40 251.35 228.30 226.30 209.30 252.86 Betaine 15.40 12.39 9.40 7.00 7.80 34.00 6.80 7.23 4.10 9.10 11.30 6.60 5.30 3.20 0.90 7.30 8.40 16.10 5.80 6.59 34.10 7.22 7.00 31.10 12.30 5.60 9.60 43.30 23.20 9.20 11.60 9.00 16.90 13.00 11.50 17.70 24.60 14.80 22.77 9.00 159.40 12.10 25.50 11.70 12.70 8.30 26.90 5.30 34.30 6.70 9.30 13.50 17.60 6.88 10.30 12.60 8.70 14.50 8.50 74.50 6.93 55.50 7.20 45.32 6.72 8.30 11.07 7.66 4.42 9.40 15.15 8.70 7.90 8.60 33.80 9.60 8.27 17.40 8.90 8.00 13.89 25.22 12.20 9.50 7.80 5.69 9.00 12.37 6.30 9.74 2.32 11.21 6.60 6.50 29.20 9.80 9.90 16.90 14.80 10.30 12.58 10.80 7.80 9.10 12.40 11.30 45.71 10.60 40.21 5.62 19.40 10.20 3.30 9.20 5.76 8.60 15.20 7.80 19.10 9.10 18.30 10.42 7.30 11.20 7.40 2.80 2.60 9.31 25.50 11.30 24.23 18.70 2.90 7.60 8.70 5.90 6.26 3.90 5.40 18.30 4.20 24.91 17.29 30.60 8.90 11.36 27.15 28.70 14.40 11.00 29.83 9.70 10.60 8.20 15.80 14.30 20.90 32.60 6.70 15.80 11.00 7.60 14.10 9.60 26.40 6.70 6.50 13.10 9.30 11.00 9.10 6.70 10.90 18.06 8.20 8.00 9.50 9.85 9.90 8.30 43.33 6.20 7.10 6.30 6.00 5.90 6.50 11.70 3.42 38.10 8.00 7.90 26.20 6.70 42.80 8.20 15.30 11.10 12.10 28.70 22.38 19.38 16.60 20.80 29.80 36.93 22.53 19.70 10.10 12.10 9.80 12.40 22.10 10.06 9.70 8.80 11.25 9.90 11.50 9.73 6.20 5.75 4.75 6.60 7.56 6.10 6.10 8.10 7.17 Choline 47.90 38.12 50.26 54.60 34.10 173.10 164.90 34.99 66.00 55.20 68.60 56.10 214.20 14.40 98.10 75.10 87.75 35.40 141.40 61.00 1218.10 49.17 22.80 309.90 73.90 47.70 39.20 167.30 66.90 20.00 87.40 97.20 69.20 34.10 59.00 45.90 147.10 31.50 61.85 228.80 608.90 116.20 131.80 48.40 27.40 45.20 79.30 42.38 214.50 54.50 39.40 214.60 51.40 36.26 45.80 238.30 43.50 81.30 353.20 1127.10 168.93 263.30 90.70 381.28 58.56 53.20 46.13 83.28 65.11 65.60 24.60 103.90 291.60 111.30 436.40 62.10 46.93 44.80 59.60 54.40 24.72 68.74 94.30 82.00 53.60 19.05 305.30 46.38 60.00 246.17 12.85 41.54 19.10 75.20 86.50 58.80 196.70 65.40 73.90 22.50 8.39 16.30 72.80 123.70 207.20 16.00 103.57 10.30 828.82 316.05 30.80 99.80 62.30 34.90 497.12 61.30 130.50 132.60 122.80 45.40 134.70 12.21 55.50 13.40 23.80 16.80 155.30 54.55 32.60 38.20 54.12 54.90 10.60 21.80 17.40 18.70 36.48 38.50 74.00 71.70 50.10 202.64 65.86 400.30 153.20 53.58 207.26 44.80 52.70 122.10 759.17 36.40 48.30 65.60 51.00 51.50 81.40 48.60 51.10 201.10 57.14 50.70 27.40 75.30 21.00 64.30 45.80 101.50 219.40 82.40 102.20 50.00 61.60 140.42 70.80 56.20 34.90 41.91 39.10 51.80 310.67 36.70 72.10 34.50 83.40 103.00 69.80 213.80 20.37 210.80 90.00 47.20 314.20 28.80 642.67 42.30 49.00 29.60 49.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143.50 145.50 204.80 208.93 170.30 90.20 121.60 150.60 128.10 100.00 123.00 125.51 135.70 109.94 112.55 123.70 118.55 140.80 121.50 102.70 104.72 Citrate 73.80 67.18 50.00 59.20 34.40 109.80 93.30 51.00 36.20 52.20 52.90 58.70 65.50 43.60 26.60 42.20 60.30 82.30 40.00 43.09 75.50 60.69 40.30 91.90 15.50 39.80 29.20 73.50 72.60 24.70 32.60 47.00 34.00 72.70 44.00 51.50 97.00 35.20 125.21 63.50 76.30 47.70 33.40 70.20 41.70 36.40 54.50 59.80 60.90 71.90 68.00 84.30 44.30 54.61 47.80 96.70 60.40 57.00 68.60 87.10 35.60 58.40 46.30 68.85 65.69 81.40 62.00 44.38 20.46 44.20 49.65 34.00 135.80 23.90 90.60 75.00 53.07 71.60 79.40 41.60 28.89 65.05 94.20 36.20 35.30 17.44 99.00 100.26 19.30 88.87 16.57 42.69 41.30 67.30 65.60 65.70 29.90 39.90 45.70 51.70 55.74 61.50 45.40 37.50 122.80 26.50 297.50 42.90 51.02 73.50 58.80 42.70 16.50 42.40 89.70 51.90 42.70 77.50 86.50 60.70 77.20 65.83 34.20 46.20 44.50 26.70 43.00 48.44 33.50 29.80 49.58 55.00 51.10 34.80 70.40 44.80 33.48 38.40 57.90 63.20 52.50 71.48 59.00 68.10 45.80 83.75 92.04 73.80 100.80 65.90 120.33 37.20 69.70 57.80 85.10 56.00 75.10 76.20 44.60 62.20 71.29 42.70 46.60 53.40 54.10 86.90 47.00 54.30 42.40 83.10 56.70 61.00 29.30 69.58 84.80 34.10 33.80 49.26 34.60 56.60 89.50 38.90 36.20 35.30 71.40 42.60 41.40 89.40 32.62 68.20 89.90 78.50 113.90 49.50 55.60 46.50 36.10 60.30 39.00 827.30 1194.76 1124.04 760.20 1262.38 1103.40 1226.23 1207.35 1052.25 76.60 80.70 86.50 55.87 113.60 35.99 63.20 75.80 42.00 71.60 57.60 31.41 60.50 41.04 47.16 67.70 54.40 70.10 57.30 53.00 36.80 Creatine 52.70 32.88 47.26 29.10 37.50 60.20 94.60 17.85 40.60 45.60 38.40 81.00 53.00 117.60 113.10 100.70 27.75 40.80 48.80 46.13 199.40 15.83 37.20 33.40 58.70 39.90 48.90 50.40 52.20 61.60 32.00 34.00 26.10 52.00 89.60 53.70 62.00 39.10 61.03 146.70 243.40 43.70 39.20 43.60 40.60 27.90 84.70 34.71 84.80 59.90 36.00 70.20 39.50 25.23 31.00 64.60 22.80 37.90 156.00 138.40 30.80 114.80 55.00 149.85 29.76 30.70 25.73 19.69 34.42 62.50 25.50 41.50 136.80 36.50 129.50 75.30 30.80 39.70 84.70 90.10 51.53 37.26 50.80 24.20 33.90 16.57 72.10 64.26 45.60 51.84 14.86 21.42 49.80 72.10 33.70 47.70 41.60 42.50 93.40 46.00 34.09 20.20 58.90 65.40 73.40 30.30 81.07 41.40 91.51 95.84 59.60 42.10 67.10 42.20 155.15 55.80 64.10 55.50 44.70 33.30 50.70 27.98 41.60 17.10 31.10 10.20 105.90 35.64 43.50 31.80 24.65 100.00 75.70 64.30 92.30 37.10 28.72 52.80 44.80 81.00 30.10 42.81 40.00 208.60 136.80 39.91 139.85 46.60 30.50 31.20 216.50 50.40 41.90 65.90 57.70 68.40 49.50 47.80 31.60 93.80 53.43 28.20 65.30 36.40 46.30 33.00 31.90 36.00 49.80 51.40 46.20 59.20 31.70 55.86 46.80 43.60 56.10 40.59 42.90 35.30 57.67 42.80 59.90 28.50 47.50 42.00 35.00 75.20 18.23 75.10 46.80 58.60 84.90 46.10 140.93 28.30 37.50 40.90 41.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75.80 61.20 53.90 49.73 81.80 47.46 47.00 83.40 57.15 56.00 38.70 43.37 43.80 31.65 37.98 46.60 40.44 69.60 53.70 53.50 35.58 Creatinine 41.20 33.99 41.91 45.20 35.90 57.40 47.10 40.09 50.80 49.80 39.10 74.90 43.20 104.80 73.30 96.70 33.45 29.40 30.00 48.16 64.40 28.47 34.30 107.40 35.10 28.20 30.20 37.00 40.60 35.10 47.40 29.70 39.10 38.90 40.00 68.90 83.00 27.20 41.55 193.90 63.20 48.70 39.00 47.50 32.30 45.90 34.20 31.22 66.90 49.70 41.50 44.80 26.70 45.58 38.80 51.00 30.40 58.10 61.00 35.10 33.07 31.40 45.30 40.69 27.43 39.80 27.20 31.25 39.26 69.40 59.25 44.70 46.70 34.40 42.80 61.30 38.53 40.40 47.10 59.40 28.89 44.81 43.90 31.10 24.70 32.53 32.30 40.19 37.10 38.26 10.53 88.98 40.60 61.40 46.80 63.70 46.70 50.10 75.50 58.20 60.34 55.40 50.80 46.20 141.20 50.80 68.75 46.50 35.16 46.98 49.40 41.60 37.90 39.40 40.00 67.50 59.90 44.20 43.30 39.00 40.40 25.23 49.80 24.90 15.30 26.60 83.60 30.84 44.80 44.70 41.08 73.00 38.50 54.90 39.40 39.70 27.77 37.80 38.60 26.80 37.70 32.95 25.57 43.40 54.50 25.71 51.25 41.80 38.10 45.30 63.17 35.40 47.20 48.80 55.60 49.20 59.40 53.80 39.30 37.70 41.43 52.00 38.90 50.50 69.70 43.90 51.00 56.10 50.80 32.00 35.50 49.20 45.90 26.88 31.20 59.30 37.70 35.88 45.50 34.80 36.17 34.70 31.00 33.40 25.60 42.60 30.70 53.50 19.51 35.60 44.70 41.20 60.70 33.80 82.27 44.60 29.30 48.30 39.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64.20 58.90 65.40 40.67 74.80 20.43 52.30 55.80 31.35 66.10 61.40 54.41 60.00 42.25 39.81 42.90 46.98 63.00 61.20 57.80 48.44 Cysteine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100.50 180.39 166.55 30.70 148.66 268.90 197.27 156.21 136.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Dimethylamine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215.50 98.96 86.70 86.90 106.75 198.00 100.67 93.86 78.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Ethanol 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 316.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 436.40 258.59 297.84 199.70 362.78 377.80 277.71 355.26 318.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Formate 1084.20 1467.69 1344.33 1094.40 1064.90 1060.80 1065.60 1328.41 1032.80 1052.00 1072.20 1123.70 1088.50 1118.20 1089.50 1111.00 1417.50 1113.40 1085.00 1611.42 1086.90 1335.83 1076.30 1100.90 1067.90 1101.50 1078.50 1124.60 1079.30 1092.70 1079.60 1072.80 1122.10 1055.70 1103.60 1056.00 1118.60 1074.60 1331.11 1103.90 1108.30 1107.00 1100.60 1067.50 1112.10 1073.10 1092.70 1442.45 1086.60 1070.10 1124.40 1061.80 1108.70 1358.66 1086.90 1089.30 1117.20 1084.30 1081.60 1123.10 1118.53 1108.80 1094.90 2053.93 1178.47 1065.80 1242.67 1515.47 1279.37 1072.90 1306.50 1068.00 1073.10 1068.10 1126.30 1098.60 1215.60 1078.40 1066.20 1081.70 1329.44 1710.29 1087.70 995.00 926.20 1288.29 1098.90 2404.43 1103.60 1205.49 1626.12 1432.04 1078.50 1039.20 1097.00 1109.20 1064.40 1098.70 1069.00 1081.30 1405.57 1087.70 1108.10 1095.70 1080.90 1076.80 1840.71 1107.80 1373.15 1497.81 1057.30 1062.70 1123.20 1088.80 1453.79 1078.90 1060.30 1047.10 1128.50 1077.40 1105.80 1386.10 1060.90 1065.00 1051.40 1024.10 1121.80 1378.04 1087.80 1096.30 1442.31 1106.70 1091.10 1057.30 1116.90 1127.40 1256.17 1073.00 1052.70 1129.70 1063.90 1173.02 1284.29 1085.10 1108.70 1274.06 1264.73 1049.20 1104.10 1061.90 1615.33 1072.30 1065.00 1055.20 1084.60 1056.60 1059.30 1055.60 1109.00 1057.10 1487.29 1103.60 1114.40 1098.80 1113.00 1098.10 1100.90 1072.00 1101.30 1085.00 1093.00 1118.70 1095.50 1343.58 1092.90 1094.20 1074.00 1346.03 1058.10 1075.20 1599.67 1098.30 1089.90 1074.00 1089.40 1082.30 1114.70 1060.30 1321.41 1090.60 1089.40 1084.90 1097.70 1104.30 1408.27 1078.60 1114.10 1059.50 1064.20 1067.80 1207.06 1352.81 1053.20 1467.47 1014.30 1285.90 1275.36 1256.02 1060.60 1069.20 1113.80 1212.93 1031.80 1414.76 1091.50 1117.10 1345.80 1107.10 1102.50 1242.13 1083.00 1460.53 1427.43 1083.60 1367.13 1053.20 1084.90 1091.50 1328.59 Glucose 2025.20 910.69 2427.42 1120.80 847.70 183.50 77.10 736.53 30.90 1503.00 648.10 576.90 701.40 44.90 53.80 67.30 691.65 1293.10 404.70 2262.45 330.10 1398.19 1195.80 1023.40 41.30 481.20 402.10 2723.00 624.10 144.70 1206.40 655.00 1363.30 2171.80 1520.60 1433.80 505.30 1110.30 1651.06 1554.80 1041.40 1190.20 1322.30 531.50 771.50 426.10 2093.00 395.88 1556.70 996.90 540.30 1088.00 34.30 758.95 1092.30 1557.50 922.30 1490.10 838.80 124.40 1666.13 269.80 133.30 880.39 1683.84 2457.90 935.47 1627.19 48.38 1260.60 1542.30 1178.10 250.60 1592.30 470.20 1391.40 1453.07 1763.50 2976.10 1553.30 1039.03 4816.90 1414.40 569.90 1724.60 322.32 939.80 73.32 397.30 2032.87 11.15 1727.16 50.70 1323.70 373.70 2573.20 536.40 1808.30 2967.80 1876.90 2496.04 1439.50 1337.20 1352.70 1181.50 2745.70 4290.71 828.10 162.56 1556.47 3687.80 592.70 32.90 543.50 34.55 1466.90 1276.60 2408.50 1500.10 1831.40 3081.20 769.37 91.00 1464.00 687.70 681.40 107.80 970.47 1641.90 1750.70 6891.66 1899.50 68.60 46.00 729.40 701.20 1777.34 460.40 2434.20 585.00 750.70 1596.32 865.86 930.10 1790.50 2056.47 1168.85 2306.60 1267.30 924.00 1085.50 897.80 463.10 199.30 1076.90 1072.20 1619.50 1913.20 691.60 354.50 748.71 1920.20 3465.40 1230.40 187.00 2116.30 773.00 1965.50 699.70 276.10 510.00 55.20 874.30 2349.34 688.60 1163.70 448.00 188.24 329.20 1426.40 1381.00 848.10 137.90 610.90 949.00 1114.00 653.90 1416.90 26.63 326.30 626.10 198.60 648.00 361.30 738.67 964.30 432.80 413.00 639.00 3243.70 2796.92 2727.33 501.70 3277.53 3715.00 3115.12 3226.14 2811.51 1033.00 1168.90 961.90 1146.53 1381.90 888.96 873.80 1146.30 906.45 940.30 1117.40 1148.55 1233.70 1089.83 1164.52 1190.10 1209.75 1324.10 1158.20 1101.10 1142.96 Glutamate 241.20 209.49 343.49 367.20 179.20 386.80 481.90 194.23 360.70 404.70 342.90 379.20 404.10 177.10 443.80 553.70 388.95 203.50 337.60 396.39 1309.60 154.86 248.20 389.30 472.80 174.70 412.50 329.20 363.10 449.30 196.70 322.00 335.80 375.50 429.70 526.40 283.30 149.00 299.52 409.70 1274.10 211.10 303.70 507.70 262.00 421.60 302.00 204.07 676.80 165.90 205.40 461.00 335.00 221.88 192.00 479.90 282.10 222.90 482.70 1093.80 283.33 718.60 513.80 305.87 281.42 326.00 253.87 215.31 201.82 380.20 279.30 390.20 611.40 287.20 538.70 298.60 198.40 266.90 393.90 249.70 253.33 269.02 459.50 360.40 253.10 108.10 340.60 313.58 414.50 314.33 85.78 290.23 372.10 405.50 397.70 220.40 479.40 349.20 322.10 292.10 242.58 243.40 209.10 578.60 401.10 323.00 612.32 189.30 734.57 305.39 312.00 333.10 295.50 246.10 305.15 280.40 408.00 282.40 308.10 174.00 272.10 119.59 484.50 80.30 265.00 185.70 365.80 374.69 347.70 244.40 332.92 353.60 360.80 473.70 425.40 331.10 155.58 278.30 242.90 558.70 317.50 326.92 276.14 532.90 319.20 238.39 264.86 236.50 259.90 353.20 952.00 165.00 310.60 406.40 389.30 315.10 293.70 340.30 427.00 407.10 371.00 345.80 478.10 324.20 397.10 381.60 251.90 278.00 293.90 574.30 386.00 429.20 418.80 370.02 265.70 401.30 343.90 256.62 316.80 368.00 423.33 430.90 261.50 166.00 367.70 191.00 151.80 449.90 95.85 434.70 252.40 321.90 472.10 224.50 451.07 217.90 327.80 352.40 340.70 109.70 76.96 113.22 72.30 125.87 163.60 151.14 118.47 88.22 404.90 411.30 388.90 333.60 592.60 275.47 389.10 419.60 271.95 351.50 337.30 228.03 363.70 212.45 225.09 360.40 246.55 380.40 368.10 313.90 229.05 Glutamine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60.40 71.36 122.69 102.90 146.52 244.00 180.45 151.23 113.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Glycerol 119.60 115.94 105.75 87.30 133.90 221.80 200.80 85.14 121.90 97.80 72.30 106.60 246.10 58.30 121.90 161.10 177.75 78.40 116.00 135.00 1392.40 135.14 71.90 345.10 107.20 82.00 61.50 169.60 107.20 94.70 69.70 64.00 162.50 108.20 108.60 114.40 241.90 83.70 97.51 440.50 831.50 117.50 175.30 135.10 83.90 96.30 111.10 120.44 266.00 157.70 122.30 236.30 47.70 98.76 123.80 244.10 83.30 115.70 455.20 1515.20 120.40 302.10 164.20 709.52 128.23 116.80 60.67 105.31 97.18 132.70 74.40 149.00 343.30 164.00 685.10 157.60 108.80 126.10 140.80 98.90 97.22 116.44 189.00 150.50 122.80 33.64 328.40 134.93 80.10 305.83 17.81 166.32 98.30 137.90 145.40 180.30 201.00 147.70 132.80 123.60 87.26 89.60 141.50 217.40 298.30 117.20 228.93 123.30 1215.92 418.09 130.40 116.40 111.50 84.60 709.70 144.10 187.40 216.00 216.30 97.20 214.00 41.83 118.10 47.70 44.60 35.70 221.70 132.51 89.20 110.50 125.66 133.60 117.30 101.30 193.60 71.00 51.04 71.20 110.10 213.60 99.40 190.18 112.43 582.70 268.70 132.99 330.68 104.90 125.40 105.00 1418.00 56.90 100.50 89.00 109.00 110.20 136.90 100.90 72.30 199.10 95.71 83.30 142.80 138.50 80.70 120.20 76.60 107.20 243.30 116.10 118.50 135.10 69.50 187.18 95.20 91.50 55.40 76.62 94.40 100.00 379.67 83.10 138.90 65.80 101.20 137.10 145.10 244.30 31.62 293.50 168.60 127.50 240.00 40.00 864.13 39.10 88.10 66.00 81.90 179.90 91.75 99.38 106.60 97.73 213.00 124.99 70.64 55.90 250.10 225.60 206.20 232.00 384.70 168.30 205.60 236.80 210.15 193.80 197.30 170.20 161.50 149.16 203.35 159.50 164.07 181.80 188.00 153.00 204.43 Glycine 146.30 152.63 235.91 237.30 350.90 261.20 337.30 245.51 364.30 269.90 264.60 329.90 167.20 503.90 399.00 482.60 334.35 189.10 179.70 422.41 551.80 283.61 210.30 356.60 391.20 245.10 285.20 194.00 253.10 410.00 262.10 185.80 211.90 218.40 312.80 386.00 279.90 164.40 224.78 396.20 879.30 365.60 256.00 301.10 209.90 253.00 263.80 231.12 436.00 218.10 205.60 337.30 204.50 224.89 99.00 113.30 194.30 283.90 339.50 672.10 287.73 351.30 447.00 454.56 154.83 195.50 228.80 179.38 309.65 227.90 311.40 181.80 416.00 101.00 468.40 337.50 178.80 107.00 355.30 277.10 267.08 156.91 330.40 226.20 291.40 123.07 278.00 341.85 311.80 270.31 110.25 456.69 252.90 303.60 307.80 167.70 260.50 179.50 191.40 223.60 200.10 195.50 184.20 313.10 266.70 183.70 245.89 237.30 929.27 382.92 218.30 213.50 238.00 206.40 441.97 228.00 257.20 233.30 213.80 192.30 227.20 112.32 287.10 89.20 152.20 134.00 417.10 279.71 224.10 160.60 216.18 339.60 316.10 345.00 434.30 257.30 263.24 255.30 183.80 265.60 242.30 288.65 295.86 436.80 288.90 242.04 413.32 183.70 279.20 292.00 535.67 183.40 249.90 324.00 237.90 237.00 266.50 209.70 230.10 352.20 345.14 349.30 411.50 366.50 421.10 175.30 275.90 311.20 216.70 274.20 191.20 401.00 223.80 381.64 252.00 262.40 296.40 336.91 248.50 234.40 382.00 276.30 185.00 234.90 262.00 211.40 186.60 320.70 167.92 414.70 210.50 281.90 400.40 213.50 769.07 206.10 268.70 264.00 246.50 150.10 111.77 110.60 97.70 126.02 148.60 131.43 118.61 100.84 143.80 354.00 337.30 413.07 274.70 333.93 317.10 367.20 255.45 283.90 301.90 221.72 260.30 280.60 211.47 307.10 283.20 284.10 317.50 281.40 304.95 Glycolate 16.60 16.99 42.56 46.80 41.00 37.60 39.50 21.96 17.80 53.40 35.50 59.40 22.90 28.70 54.60 61.80 13.35 23.40 32.70 85.50 73.70 24.72 31.10 49.40 21.30 12.70 40.80 36.70 40.80 38.40 24.60 21.10 34.10 30.40 47.90 26.80 39.60 23.00 17.28 39.40 157.10 37.80 34.80 50.50 20.20 36.50 58.80 30.53 61.40 34.70 39.60 33.50 28.40 23.65 18.70 29.70 31.20 36.60 45.70 102.00 25.87 62.80 26.40 37.41 23.86 31.50 20.00 25.00 30.41 29.60 23.25 38.10 31.00 23.80 58.50 34.40 10.93 32.10 34.80 20.60 29.72 33.57 53.50 22.60 14.80 14.84 25.60 45.49 42.20 11.52 9.91 23.14 37.70 27.90 43.30 18.30 39.40 34.80 51.80 36.70 9.34 32.30 29.40 33.30 60.90 42.30 42.50 31.00 53.61 26.66 31.00 29.00 19.30 29.70 32.58 21.80 38.50 19.00 21.30 26.50 34.30 18.79 37.10 16.50 12.80 10.90 62.80 30.25 31.80 26.70 16.58 33.90 27.80 51.20 47.70 15.60 25.86 43.80 21.10 54.20 26.70 29.97 9.14 36.30 23.60 8.79 27.28 15.30 26.90 26.40 66.83 27.70 43.30 45.30 46.20 41.20 43.60 29.30 34.40 20.80 5.86 35.20 36.70 51.50 33.90 30.70 24.60 28.40 31.70 23.00 29.10 56.40 31.10 9.94 18.80 31.50 34.50 28.68 36.50 33.10 44.83 13.40 19.30 10.50 13.80 13.00 24.50 25.40 11.96 48.90 43.20 34.80 34.40 35.70 60.40 28.10 34.40 25.20 28.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.50 38.70 36.40 40.80 54.00 33.16 36.00 42.30 22.05 36.20 27.20 28.26 39.40 25.74 22.20 33.20 32.15 40.50 37.50 41.30 28.95 Isobutyrate 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4.00 2.11 1.75 2.50 1.99 6.50 3.94 2.90 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Isoleucine 39.10 21.76 49.87 52.60 49.40 36.00 47.10 31.03 39.50 49.30 49.00 50.20 44.90 20.50 50.90 72.90 61.95 49.30 52.80 96.82 88.70 28.75 51.80 73.20 48.90 51.00 52.30 76.30 71.90 58.90 64.60 35.00 46.80 58.30 68.90 74.90 61.90 50.70 34.70 86.40 183.00 35.50 42.40 51.80 37.00 46.80 61.80 47.25 62.40 54.30 59.90 80.00 51.60 29.53 24.90 60.60 37.50 56.70 75.70 116.90 52.80 85.30 70.40 71.55 44.30 33.00 28.00 29.84 46.86 53.80 49.35 75.30 73.00 74.80 113.50 74.80 30.40 52.90 66.40 79.90 59.44 44.97 82.70 36.10 49.80 20.53 52.50 57.64 58.90 58.70 17.34 90.42 80.20 89.40 74.70 76.90 61.20 69.10 92.70 67.90 42.35 41.50 43.80 61.10 64.60 79.10 114.64 57.20 88.63 94.97 108.40 64.10 58.60 43.80 63.33 45.80 65.00 72.60 71.40 46.10 68.70 36.89 97.70 27.20 33.70 31.20 68.40 55.56 44.30 40.10 54.40 53.90 65.40 57.90 61.40 74.90 33.35 56.20 62.30 47.20 54.40 65.51 52.14 99.30 70.00 49.65 48.07 66.20 46.40 49.20 128.33 35.80 44.90 58.80 61.90 67.70 68.30 82.70 55.50 79.00 51.00 55.00 123.50 88.70 85.00 58.50 49.50 57.10 53.20 69.10 48.40 74.70 62.60 62.72 47.90 70.50 70.70 40.44 59.10 46.80 85.50 62.20 64.60 36.00 43.90 55.90 51.20 73.60 34.32 73.20 77.70 67.00 78.50 47.50 81.47 53.80 38.80 54.70 62.40 69.70 43.76 33.51 40.90 30.13 52.40 36.54 35.11 25.94 63.80 51.30 47.60 54.93 58.00 35.67 47.00 52.20 40.20 46.80 47.60 49.15 50.20 44.22 39.35 45.90 45.67 53.30 47.10 46.00 43.43 Isopropanol 5.70 3.97 8.09 5.10 4.10 45.70 17.20 2.83 7.60 8.80 12.20 17.10 7.60 32.10 12.10 15.20 21.00 5.80 8.40 6.59 3.50 2.22 8.60 9.60 7.60 6.20 5.20 4.50 5.00 4.00 6.70 4.20 4.80 3.30 2.00 10.90 4.30 6.70 4.25 11.30 3.10 4.10 6.00 8.10 6.90 7.30 5.30 9.76 6.90 7.80 4.90 11.40 5.00 4.59 4.80 7.70 3.80 2.70 17.00 3.40 2.80 198.50 9.00 5.79 2.88 4.60 38.27 48.44 4.70 7.10 4.35 13.30 8.20 5.20 6.80 6.20 4.00 4.90 6.30 5.10 2.64 9.48 6.60 6.70 2.90 1.73 108.80 6.18 5.10 12.21 1.86 10.49 6.30 30.00 46.70 8.70 4.90 8.70 8.40 8.50 2.71 5.30 6.20 5.40 5.70 7.70 17.68 5.40 3.60 5.33 12.00 7.90 39.30 16.90 67.42 9.10 5.50 7.30 5.30 6.50 5.40 3.15 6.70 7.80 3.00 2.80 68.80 6.98 8.40 4.30 4.68 9.50 12.50 6.90 4.30 7.00 14.29 6.80 7.70 10.40 8.10 5.06 2.86 12.40 4.60 5.55 456.23 7.70 7.40 7.60 3.33 7.80 6.70 9.00 38.80 10.30 10.40 7.80 12.50 11.90 10.71 7.90 16.10 12.70 13.30 13.30 15.80 17.50 23.40 18.60 29.30 17.00 28.50 4.76 29.70 9.70 8.40 7.65 7.00 5.70 11.17 8.50 14.90 8.90 5.30 6.90 21.80 9.20 2.28 17.80 8.00 6.80 5.50 4.90 8.13 14.20 7.50 14.40 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15.70 14.30 10.90 8.80 15.90 6.13 12.00 11.50 7.95 6.70 7.60 7.23 9.80 8.48 6.58 6.10 6.84 8.00 13.20 10.40 8.12 Lactate 2922.10 1774.38 4002.44 2386.70 2276.40 4079.70 4267.80 2928.11 3467.30 2806.50 2880.20 3987.60 2549.70 3226.30 4294.10 4752.30 3474.45 3493.70 3333.20 3876.24 7706.10 1898.89 2797.60 3427.80 3588.40 1972.90 2738.60 3131.20 3455.60 3220.50 1600.10 1947.20 1964.00 2800.30 2958.80 3896.10 3575.10 1073.10 4385.14 3578.20 13734.40 1709.30 3421.30 3997.80 1677.90 2786.70 3096.60 2986.38 3710.30 3453.10 2893.90 3585.90 1811.50 1800.55 1205.40 3529.90 1707.80 2053.50 3863.00 9397.40 2527.07 6172.10 4202.80 6551.36 2516.02 2676.90 3010.93 3155.63 2477.04 2338.50 2177.85 4677.00 6841.90 2095.70 6216.20 2439.90 2142.53 4233.90 2784.60 1981.00 1770.00 2242.22 4121.50 1363.80 2259.40 1930.22 2679.20 4582.29 2857.50 3850.29 1346.01 5785.51 4011.60 3712.30 3309.40 4078.10 3272.60 2367.70 5035.90 1311.70 2558.82 1062.50 1588.20 3086.30 4609.70 2658.10 4500.89 1503.30 9513.35 5610.50 4917.50 2284.00 3142.50 2978.40 7939.55 1938.60 3289.40 2573.40 2609.40 2717.50 3615.10 2187.15 3172.20 1230.40 2563.20 2332.30 3724.50 4068.22 3402.00 1431.80 3952.93 2087.00 4423.10 2885.30 5600.30 1960.60 3630.49 2952.80 2419.50 2100.10 2446.30 3799.14 2703.71 5598.50 3470.20 4250.81 5838.81 1724.80 3093.60 2262.00 10152.33 2213.20 2693.80 4409.00 2832.50 2816.80 2225.70 2005.20 1920.30 3923.50 2839.00 3921.60 5088.10 2375.40 4111.50 2603.60 2098.10 2585.80 3236.60 4982.00 3107.50 4091.50 2318.40 4602.22 2444.10 4181.50 4115.70 3724.41 2803.50 2897.70 5132.33 2753.70 2837.30 2141.70 3237.90 2423.70 1448.70 4184.40 2752.49 4278.70 3419.10 3381.40 6161.40 3185.70 5844.40 2484.60 2689.10 2389.00 2426.20 792.30 799.78 906.20 760.00 1077.16 1114.70 981.38 978.98 846.27 3350.20 4079.60 2753.50 4000.27 4445.60 3471.91 3678.30 4124.70 3598.95 3683.50 2943.90 3632.55 3681.70 3486.64 3468.28 2873.00 3641.31 3638.70 3457.70 3537.50 3188.34 Leucine 79.40 61.62 101.70 110.90 88.00 83.00 100.80 79.19 84.30 113.60 105.30 119.10 113.90 125.10 111.10 189.20 106.80 106.50 79.10 196.17 230.60 51.67 84.90 128.80 85.90 74.40 73.20 96.60 140.60 90.90 71.30 74.50 86.70 99.20 110.20 145.10 96.20 56.00 71.59 156.40 303.50 65.60 85.50 101.10 73.40 77.30 107.80 68.16 157.60 108.60 68.10 139.70 83.30 62.64 47.40 103.10 56.80 73.00 201.50 322.30 90.00 184.60 98.00 162.39 66.10 62.20 39.60 50.47 71.47 91.00 76.50 116.20 165.70 95.10 169.00 105.70 75.07 67.10 113.70 96.60 90.42 65.37 111.60 46.90 88.90 27.83 82.70 84.14 83.20 118.90 31.59 118.31 107.10 143.50 85.20 94.60 83.90 87.40 114.30 83.40 73.06 60.20 75.20 107.40 172.40 99.90 219.64 60.30 359.14 147.29 178.10 94.80 78.00 58.70 168.48 82.20 128.70 96.70 83.20 81.90 92.50 39.50 104.00 36.90 59.60 48.70 134.70 77.09 92.40 61.90 72.25 84.90 110.50 106.70 92.80 81.50 62.07 85.50 101.90 89.20 96.50 132.32 96.71 240.40 129.60 86.32 167.39 105.80 85.40 95.00 343.50 76.20 87.60 125.90 131.10 117.80 128.80 111.10 85.00 148.40 67.57 92.20 198.60 139.70 142.10 105.00 63.30 73.80 81.40 119.20 75.00 129.20 83.20 113.12 67.90 101.50 104.00 66.91 93.00 81.60 144.17 100.40 92.60 64.40 81.80 72.60 68.00 130.80 59.11 124.10 102.70 99.90 151.80 65.20 251.73 81.50 50.30 88.90 96.80 83.00 70.24 56.68 52.10 78.76 102.80 83.33 72.57 63.81 122.10 125.90 107.90 113.47 159.70 82.34 102.20 120.00 92.85 91.50 100.70 90.16 92.10 78.89 78.86 103.30 90.47 109.40 96.40 91.40 80.77 Lysine 177.70 117.69 207.58 202.50 143.30 197.40 247.50 136.00 208.20 261.00 263.60 269.70 218.30 261.20 287.00 289.10 157.80 98.70 153.50 298.06 224.20 89.72 183.00 162.40 211.20 113.20 194.20 140.20 299.20 197.40 180.70 126.00 176.70 246.00 200.40 248.80 148.30 138.70 179.66 140.40 346.90 153.60 167.00 216.90 130.10 184.90 220.60 168.39 270.60 163.40 180.20 246.60 126.10 135.74 96.20 179.70 102.20 176.10 173.10 240.10 107.73 179.60 207.90 143.49 113.97 193.40 115.73 100.16 190.49 193.90 204.90 186.00 195.30 172.70 178.60 225.80 121.60 147.20 246.70 222.10 141.67 125.59 215.10 122.90 133.70 92.64 123.20 200.96 205.80 162.10 56.52 203.26 209.60 259.60 153.80 192.90 164.80 117.50 241.40 162.00 146.93 132.10 186.60 196.30 168.90 222.00 417.86 154.50 218.19 105.78 247.40 155.70 148.10 179.50 148.33 181.80 299.30 196.70 173.60 149.80 146.00 119.04 255.10 102.60 119.60 95.40 227.30 133.09 225.40 142.10 126.37 193.50 242.70 253.70 279.30 163.90 89.29 192.90 207.30 269.70 179.70 199.01 161.14 172.50 176.60 124.20 141.57 263.40 169.90 215.10 256.00 142.30 200.40 312.70 281.20 238.00 242.50 238.60 156.10 284.40 208.43 191.30 275.60 256.20 266.50 176.70 154.80 157.10 125.50 217.10 171.70 269.30 193.40 139.16 150.10 258.70 283.00 153.82 195.50 175.60 171.83 173.20 177.80 142.60 141.50 141.20 161.80 249.30 75.77 196.30 215.80 242.20 218.90 175.60 223.87 166.40 138.60 187.10 229.30 110.20 61.79 73.00 52.90 65.46 116.70 95.15 58.47 54.79 219.10 245.20 193.10 182.40 401.50 151.49 157.20 223.30 161.70 194.70 193.00 173.88 193.00 150.22 151.13 198.60 151.27 187.60 175.60 176.10 151.66 Malate 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65.30 69.62 45.32 28.90 37.47 98.70 106.59 59.16 35.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Mannose 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63.50 25.24 25.35 33.10 27.99 56.20 71.10 30.14 22.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Methanol 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29.70 26.36 21.42 24.00 24.32 47.50 24.71 26.13 20.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Methionine 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.60 5.22 3.50 3.80 3.52 7.90 4.73 2.76 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 Methylamine 8.40 5.56 4.31 5.60 3.10 7.10 8.50 2.83 2.40 5.30 4.10 5.70 3.80 10.20 10.20 5.00 4.05 4.70 3.30 3.89 9.10 2.08 3.30 3.80 4.40 5.10 5.70 1.50 6.30 6.10 2.40 1.90 2.70 7.30 6.60 4.90 11.20 6.60 5.49 6.50 16.00 4.50 6.00 6.10 2.40 3.40 6.90 2.79 10.50 3.90 1.60 5.00 2.60 3.30 2.20 3.50 2.70 3.80 4.80 8.10 4.13 4.20 6.70 6.56 3.84 3.30 5.33 3.59 4.29 5.10 2.85 4.80 3.90 4.10 4.90 7.80 2.80 4.50 4.30 6.20 4.03 4.98 4.80 3.10 7.00 5.19 8.20 14.35 7.40 8.23 3.56 8.77 9.60 10.50 7.50 5.20 6.80 3.40 10.80 7.60 3.38 4.70 6.20 9.50 11.20 6.60 13.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9.10 4.23 5.25 5.50 5.20 6.00 6.31 4.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.15 5.20 0.00 2.30 4.70 1.89 4.80 3.00 5.90 3.11 O-Acetylcarnitine 6.00 3.65 6.01 6.50 4.90 11.30 6.40 4.68 4.90 8.50 6.10 7.50 12.30 6.60 6.60 10.40 3.75 9.20 10.10 18.59 20.80 7.50 7.60 36.40 8.30 6.30 6.90 17.50 12.80 6.00 5.70 6.10 8.90 7.10 8.10 4.80 16.10 6.00 9.74 22.80 84.70 9.60 14.40 9.00 7.20 7.20 20.90 7.81 23.60 11.60 9.60 20.60 6.50 4.01 3.60 13.70 5.00 4.10 15.70 44.70 10.40 23.70 5.00 20.06 6.17 9.20 5.47 4.06 3.32 9.60 4.80 13.60 26.80 9.30 32.60 13.10 1.60 10.20 15.40 10.90 0.00 6.75 13.30 3.30 8.90 3.09 5.90 5.08 4.10 7.54 3.25 5.61 5.00 9.00 4.90 8.00 7.10 6.10 12.30 7.10 5.41 4.60 8.30 23.80 17.10 9.90 22.32 9.70 16.72 16.00 6.50 9.10 6.70 4.50 24.09 6.90 13.80 6.50 11.50 14.90 11.90 4.25 6.10 3.70 7.60 3.60 10.50 6.55 9.00 9.40 9.21 5.40 10.00 10.70 16.50 5.10 5.04 9.00 7.70 11.90 4.20 14.53 9.57 24.60 16.10 8.39 8.08 7.50 10.80 11.10 35.33 6.80 7.00 5.20 15.50 12.10 16.00 9.60 5.00 19.10 3.71 7.30 15.80 9.00 7.10 4.70 2.60 6.90 6.90 5.40 3.50 7.50 7.20 13.86 5.30 4.70 6.00 4.41 7.30 7.20 23.50 8.10 5.40 6.30 6.50 8.80 10.00 6.70 2.56 13.60 13.90 10.70 20.50 7.10 17.33 7.40 3.20 5.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13.50 13.90 10.10 10.53 27.70 17.29 10.80 10.90 9.15 11.30 7.20 3.94 7.40 5.00 5.05 11.30 3.05 9.00 9.80 10.00 4.19 O-Acetylcholine 39.00 17.47 31.46 38.40 29.20 44.10 50.50 20.54 34.70 45.50 37.10 48.00 41.10 26.70 55.90 75.30 36.00 41.20 30.70 51.37 93.60 19.31 20.70 80.90 46.40 30.60 35.60 55.40 56.50 43.20 31.40 19.40 25.90 42.60 46.00 63.00 45.50 30.00 22.77 56.50 139.70 28.80 33.50 41.90 28.90 26.20 66.40 20.91 60.20 31.90 34.90 52.90 51.20 16.20 16.40 34.30 22.90 28.40 50.60 84.60 16.00 88.80 42.80 36.64 22.35 29.50 17.60 21.56 28.34 30.50 20.40 39.90 46.00 24.90 65.30 34.80 13.07 28.50 33.90 38.30 29.86 32.44 47.60 22.80 32.50 16.45 36.20 42.40 34.40 26.74 7.12 57.79 52.10 50.70 40.00 33.80 40.00 30.80 42.00 31.60 20.97 22.70 25.70 49.90 23.10 25.70 36.79 25.20 74.36 38.77 44.00 22.20 39.20 28.80 55.00 31.70 38.00 36.10 39.20 37.80 41.20 27.43 40.20 12.40 21.90 16.80 65.50 37.67 52.00 23.70 27.63 34.40 52.20 50.00 63.90 43.20 15.79 30.80 36.20 49.00 27.80 42.03 35.29 54.80 40.80 24.62 42.11 38.20 53.70 34.50 107.67 26.90 42.40 52.20 43.40 43.30 54.00 43.40 40.00 45.70 33.00 36.20 83.70 44.20 39.60 39.90 24.70 22.60 30.50 47.40 35.00 53.90 23.10 42.42 32.20 40.20 47.80 30.44 28.00 42.00 54.33 40.40 35.70 28.10 35.20 26.80 30.30 43.60 21.22 51.30 45.10 45.10 48.60 34.90 43.60 24.10 39.40 37.00 40.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45.20 23.50 37.70 34.67 66.30 12.57 13.50 32.70 28.20 33.20 29.40 31.02 29.90 31.35 28.79 33.40 26.47 32.90 35.50 31.50 27.19 O-Phosphocholine 113.30 104.51 34.47 9.20 16.10 138.30 55.10 17.71 17.50 42.20 22.70 29.80 32.20 24.20 19.00 29.60 43.80 24.20 34.80 39.37 93.60 10.97 31.80 39.50 17.90 17.20 21.20 34.00 39.60 28.70 31.70 47.40 28.90 35.30 29.50 62.80 95.20 88.40 79.68 46.60 92.10 38.10 23.10 27.20 19.50 22.60 182.40 21.88 33.40 21.90 19.60 55.30 21.00 10.18 20.00 47.70 32.70 34.30 23.80 25.50 46.27 35.30 41.70 42.81 33.33 31.50 20.67 25.00 29.03 38.40 31.20 59.40 42.60 37.70 19.50 40.40 23.60 26.00 35.00 36.70 20.28 22.65 41.10 22.40 22.90 30.67 44.20 94.52 26.70 56.37 5.11 22.57 34.00 51.70 19.10 33.10 44.70 25.90 37.70 61.70 35.58 34.60 39.00 52.20 49.60 51.90 64.11 42.60 21.04 48.28 33.30 38.10 32.10 24.00 12.58 34.40 51.90 47.40 103.70 23.70 105.10 95.45 44.80 21.00 16.50 17.20 24.20 34.91 24.60 22.20 32.44 26.80 28.00 29.60 35.80 29.60 20.69 34.20 47.30 57.40 38.50 30.10 13.43 42.90 36.90 24.89 34.30 36.30 30.40 39.10 35.00 21.90 46.50 50.20 34.20 44.30 48.20 37.20 32.60 33.60 34.43 28.60 41.10 37.70 17.50 41.50 33.50 40.60 38.70 25.40 27.90 30.30 31.30 20.44 76.60 43.00 40.00 25.00 24.00 53.60 27.00 30.20 35.80 21.20 32.90 40.10 34.40 57.40 14.38 59.90 37.10 26.10 28.30 34.70 29.47 31.00 24.60 24.10 44.30 100.90 62.04 59.45 37.50 67.60 103.30 89.90 73.54 64.64 49.20 28.70 34.80 31.07 56.00 9.11 21.90 33.80 11.55 26.10 18.90 22.47 41.90 14.69 16.38 34.10 25.31 38.90 29.60 29.20 20.16 Phenylalanine 19.50 39.07 21.41 19.60 12.80 23.50 15.30 39.95 17.50 24.10 19.50 23.60 17.00 30.30 23.70 38.90 36.15 17.30 21.20 42.07 89.80 16.25 13.00 12.00 24.40 11.50 15.10 19.20 24.50 13.00 10.90 9.40 10.40 16.40 16.30 20.60 18.40 11.40 24.14 29.60 103.10 10.40 18.40 16.40 14.80 14.40 29.70 11.57 22.20 15.90 9.80 27.30 23.10 32.39 7.90 15.50 5.20 8.40 38.20 92.00 35.33 52.30 21.10 37.22 29.35 9.90 16.13 27.81 23.78 13.00 26.70 14.10 24.70 10.50 34.20 15.70 28.13 11.80 16.10 15.80 28.89 16.38 14.60 23.70 17.90 8.04 19.20 23.41 15.30 33.46 18.27 38.53 17.30 26.50 21.80 10.80 13.80 9.10 17.20 12.30 14.48 9.80 9.20 14.30 43.00 17.60 24.64 10.80 91.80 25.22 23.00 13.40 14.90 11.60 55.91 14.50 20.50 11.30 16.20 13.10 12.90 29.35 15.30 9.80 21.50 12.00 50.90 38.40 21.90 12.10 24.08 13.10 13.90 23.10 17.20 9.80 29.67 15.60 17.60 35.00 13.20 37.62 30.14 34.60 24.30 32.06 55.36 13.80 19.20 14.20 110.67 17.10 28.20 22.60 30.10 14.80 24.00 27.60 9.50 22.00 23.00 11.70 24.80 16.20 31.80 16.00 15.50 13.50 12.70 19.70 10.30 20.30 14.00 42.98 9.40 16.30 19.40 31.18 15.10 14.80 48.50 16.70 9.50 11.90 12.30 13.80 9.70 20.00 23.50 17.10 16.60 18.30 27.70 12.90 90.93 15.20 11.10 20.90 18.60 16.10 21.01 30.16 20.00 27.07 9.80 32.86 22.67 30.79 21.10 12.90 7.90 35.07 34.50 32.37 10.60 19.10 29.10 12.10 13.20 33.25 20.80 26.65 33.53 11.80 26.62 15.30 18.10 14.40 32.47 Proline 189.40 127.85 166.98 185.80 180.00 252.30 286.80 149.88 160.40 240.80 176.80 219.80 201.60 251.50 230.60 235.30 247.35 127.20 148.10 298.73 304.40 164.03 176.60 201.40 185.80 168.10 204.50 198.90 283.90 237.90 193.00 154.10 172.30 204.00 211.10 228.30 204.10 184.30 127.82 223.00 724.50 168.60 132.80 270.80 134.20 185.60 431.30 135.35 258.30 149.70 122.60 232.40 176.50 84.71 168.40 202.50 146.30 156.20 187.80 411.30 143.33 221.40 205.30 165.86 99.29 160.30 101.47 95.78 171.14 162.00 101.25 200.20 230.90 138.40 234.30 176.40 117.33 190.20 235.80 131.30 145.56 116.60 205.90 88.40 157.40 70.25 141.00 181.97 198.90 149.07 48.77 221.66 194.60 219.00 176.50 284.50 231.40 200.80 239.40 206.80 105.53 109.70 157.90 213.40 285.60 187.80 302.86 169.70 237.36 188.65 246.80 153.70 148.60 157.60 150.00 176.00 210.20 153.20 174.60 132.30 227.50 132.07 191.70 84.30 124.00 78.20 226.40 135.42 148.00 143.20 170.00 139.80 222.00 233.00 305.80 168.30 118.28 168.70 174.90 283.80 132.60 152.04 113.00 228.30 186.30 121.36 163.02 195.70 197.00 412.00 264.33 148.30 189.80 190.00 199.60 315.50 209.90 204.00 159.20 252.40 100.86 170.30 334.30 215.70 177.10 229.80 162.50 187.50 157.70 188.30 146.00 273.70 185.50 161.84 173.50 191.30 167.20 106.47 241.90 184.60 219.67 198.60 132.60 137.80 210.60 159.70 125.60 248.30 101.83 180.20 257.20 156.20 211.60 158.00 213.20 134.50 124.20 155.50 201.80 181.70 129.05 99.38 88.00 76.62 163.50 134.06 96.35 105.84 203.70 245.00 230.00 151.20 851.90 125.71 207.80 304.70 138.30 236.70 209.40 137.61 229.10 154.00 152.97 221.20 135.71 267.40 234.60 242.60 131.91 Propionate 12.70 3.65 14.36 11.90 6.40 12.60 16.40 4.68 8.90 14.30 16.40 17.20 9.10 197.10 13.30 13.30 5.40 13.00 9.90 8.96 11.70 6.11 14.30 9.40 15.40 9.30 7.60 12.50 15.80 6.90 7.00 7.50 9.60 12.10 6.70 11.30 8.10 11.90 13.58 20.10 14.00 4.50 9.80 13.30 6.50 11.20 12.30 7.11 9.10 13.30 15.20 14.60 6.60 12.61 5.40 13.10 5.90 11.70 16.70 7.70 4.27 11.60 10.80 9.45 5.49 7.80 5.33 4.38 5.39 10.10 7.65 15.80 15.60 10.10 9.50 12.30 6.00 8.10 11.00 10.90 4.17 7.39 5.90 3.60 6.70 3.34 5.60 6.63 6.40 7.95 4.65 8.77 7.90 6.30 5.70 8.60 4.80 5.70 17.40 6.80 5.41 6.50 3.20 7.10 77.80 5.70 20.71 6.10 11.24 5.76 8.90 5.10 6.60 4.40 14.39 6.00 13.70 10.10 7.20 6.60 6.30 4.39 11.90 5.70 6.40 3.10 10.00 5.24 5.70 6.80 8.22 7.90 9.30 15.80 8.60 6.30 2.99 7.60 12.10 16.60 6.50 4.80 5.00 16.30 11.30 6.63 13.91 11.80 7.80 11.10 18.50 4.00 9.90 14.30 13.30 11.30 14.20 9.80 11.00 11.20 4.00 3.30 19.00 10.50 10.40 14.50 8.40 6.40 7.40 7.70 4.50 12.00 11.50 5.74 10.50 17.30 9.70 8.38 9.50 9.90 11.67 8.50 6.30 3.90 7.50 11.70 10.70 11.40 3.85 13.20 11.90 10.80 13.30 11.10 17.33 13.20 6.10 9.60 12.80 4.00 5.72 3.06 3.80 3.06 7.10 3.29 2.63 3.05 14.00 12.70 11.00 5.07 23.90 2.83 7.10 12.90 2.70 6.10 8.10 2.89 9.00 4.85 6.43 8.10 6.11 8.20 9.80 7.00 4.46 Propylene glycol 472.90 688.66 252.89 51.70 6.20 11.50 17.80 5.53 10.10 7.70 19.90 17.00 7.50 8.90 8.20 5.20 4.65 7.30 5.60 5.58 627.80 533.61 4.30 9.90 12.50 8.50 6.60 125.40 7.60 6.50 8.80 5.90 9.30 40.50 654.90 484.00 216.10 410.90 249.87 10.30 14.60 6.30 4.10 9.40 5.00 5.30 5.90 4.46 8.50 7.90 5.50 11.00 4.60 408.64 655.10 594.30 326.90 337.10 16.90 1422.20 1.73 14.40 8.80 4.63 2.19 6.70 4.00 4.06 5.53 673.80 1135.05 83.10 68.90 239.20 739.70 1060.80 653.33 669.30 854.60 154.50 688.75 707.79 497.60 294.70 4.00 85.96 4.50 7.95 4.80 6.31 2.79 5.75 10.00 7.10 8.50 4.90 516.90 736.70 13.10 403.90 7.85 6.10 6.50 10.90 15.30 1690.70 25.89 6.30 10.23 7.78 202.30 5.60 471.80 4.50 6.21 8.40 7.10 50.60 40.10 309.50 16.10 119.86 11.90 4.30 5.90 1.50 6.80 547.05 5.70 574.80 312.80 996.90 7.90 5.80 4.60 8.00 1.77 8.40 8.20 8.40 8.80 6.23 274.86 55.20 174.90 206.59 4.90 16.60 5.70 16.10 692.17 8.80 10.60 9.70 8.70 11.20 10.50 7.40 7.90 11.80 4.86 3.90 8.70 4.50 3.80 9.70 6.90 5.00 8.70 10.50 6.20 7.40 108.60 5.04 7.50 18.60 6.50 3.97 8.30 5.30 7.00 7.80 8.30 6.10 7.30 9.40 10.90 12.10 2.99 7.30 9.70 11.40 10.30 5.20 6.27 8.50 7.00 11.40 16.90 14.90 9.45 11.95 8.00 8.56 21.10 13.54 10.37 6.10 87.20 103.90 91.80 120.53 108.20 96.01 104.90 118.30 100.50 108.50 145.50 171.25 167.30 156.27 157.41 147.70 163.35 168.90 163.70 162.40 162.49 Pyruvate 42.50 19.38 22.46 11.40 89.10 83.50 84.90 27.77 95.10 12.70 66.20 26.30 47.60 94.40 65.50 86.60 4.80 10.30 51.70 19.09 31.30 16.39 18.90 36.30 104.40 7.40 54.10 55.60 14.00 48.20 24.90 5.60 17.90 28.50 38.20 41.10 35.30 30.80 55.68 31.20 67.10 22.80 62.30 59.70 10.80 63.10 36.70 8.50 59.50 15.00 11.40 35.70 74.00 5.59 10.40 33.10 8.50 11.10 23.10 41.50 5.60 32.40 81.70 20.83 4.39 13.90 23.33 13.13 26.96 10.90 9.30 56.00 28.80 24.00 16.20 28.60 13.33 34.00 30.80 15.20 12.64 13.81 27.40 8.30 16.00 45.64 16.20 83.70 50.10 16.32 53.88 28.61 39.50 12.60 55.10 12.40 39.20 16.70 22.80 25.10 7.98 13.00 15.90 22.50 23.50 22.60 23.39 19.20 24.93 19.02 51.60 32.20 111.20 12.10 39.39 15.40 20.90 23.80 38.10 23.80 39.10 46.49 94.20 6.60 40.50 15.70 71.30 24.00 48.40 11.20 28.90 15.50 33.90 89.80 27.00 61.40 11.57 50.40 24.30 95.90 63.40 19.33 24.43 20.60 35.50 6.36 16.69 22.20 43.90 24.70 51.00 20.20 35.20 74.70 20.50 17.30 13.50 18.00 15.90 37.80 16.71 33.40 38.80 11.30 17.50 9.20 24.30 16.60 30.60 61.90 56.40 84.20 11.40 38.64 20.00 56.20 126.10 35.74 64.10 36.60 18.33 94.20 15.00 10.30 19.90 16.30 7.10 19.60 34.75 41.50 16.00 7.00 74.80 90.30 64.53 25.50 43.40 61.90 66.90 22.20 5.35 5.39 9.30 12.54 25.60 10.12 10.37 8.05 55.10 42.60 33.20 21.47 85.00 21.37 33.90 34.30 21.90 37.90 31.40 21.03 36.30 17.26 16.08 32.70 23.13 33.60 32.40 40.60 22.19 Serine 120.80 47.49 57.31 58.30 53.70 179.40 105.00 44.63 78.00 104.20 84.70 109.70 97.70 101.30 137.80 132.60 36.15 77.30 75.40 45.62 279.00 74.58 75.70 142.80 68.70 62.60 83.00 142.90 106.20 57.40 35.10 66.70 62.20 114.50 128.80 99.10 122.40 68.90 72.41 121.10 542.70 63.90 101.60 78.80 58.40 40.80 288.70 33.32 135.50 88.30 76.00 114.20 97.30 55.90 35.10 92.00 51.80 62.40 114.60 286.10 136.53 242.80 111.90 172.41 129.05 117.60 76.27 125.47 20.46 85.40 104.25 107.10 178.30 74.20 159.40 108.40 38.93 92.10 67.50 111.40 71.25 51.72 94.00 52.20 98.70 37.97 83.10 60.51 71.50 68.57 22.14 131.53 67.10 133.50 143.30 77.00 79.20 52.70 99.30 89.10 62.64 74.70 62.90 153.70 147.50 103.20 95.00 79.60 189.51 111.55 68.50 64.00 61.90 75.50 116.82 46.80 97.60 81.30 90.10 85.30 135.30 39.36 59.90 40.90 78.10 35.50 107.30 84.36 155.60 51.90 63.04 88.40 106.80 96.20 151.70 116.70 53.22 96.10 87.30 103.30 64.50 120.13 85.43 151.90 107.40 52.90 93.76 67.00 98.70 69.40 341.50 96.60 109.40 108.10 193.10 113.00 125.80 203.80 52.50 109.10 51.57 65.50 224.90 145.90 147.90 65.90 57.80 59.90 68.10 101.40 38.70 100.90 105.00 44.10 73.60 88.30 71.40 59.26 66.50 80.20 146.00 63.50 37.80 57.30 61.40 35.30 52.30 88.70 33.90 126.40 123.60 107.60 191.60 78.30 310.00 107.30 48.50 127.30 86.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118.80 71.70 63.50 47.47 110.80 40.39 47.10 124.90 36.45 76.20 67.30 45.87 75.40 48.31 42.72 44.30 41.45 38.40 58.60 76.50 50.74 Succinate 16.50 11.75 8.36 8.70 7.80 18.70 14.40 6.94 12.50 9.70 10.20 13.90 25.90 572.20 18.50 31.10 10.80 8.20 20.30 10.98 116.90 10.28 6.80 42.50 55.00 8.50 8.50 25.60 11.50 17.20 5.30 6.60 13.00 9.00 13.10 18.30 34.10 6.70 12.21 52.60 45.50 16.90 33.00 9.80 4.50 6.80 20.80 4.74 21.90 9.60 7.60 14.60 7.90 5.02 5.40 35.90 7.40 7.60 27.20 193.30 13.73 61.40 20.90 59.59 6.99 8.50 8.53 10.47 10.23 8.80 3.30 11.70 60.30 13.20 110.60 6.10 4.13 10.10 11.30 9.00 4.44 8.19 10.00 5.90 4.20 8.66 36.00 43.73 22.80 18.51 6.50 16.39 11.50 12.80 9.40 9.80 16.70 8.00 22.30 7.30 5.41 4.40 11.80 29.10 32.30 8.40 16.79 10.90 160.98 43.81 8.60 9.50 13.70 12.50 78.48 7.90 18.10 19.30 20.00 10.60 17.20 12.21 15.80 2.80 16.70 8.80 45.60 12.95 11.30 9.80 7.65 10.30 11.80 12.40 15.00 11.60 9.12 5.40 5.50 17.70 9.30 24.39 17.43 48.50 26.80 9.61 46.22 6.20 8.20 8.60 208.00 5.00 7.30 22.60 12.00 15.00 6.30 2.60 7.20 31.50 9.71 14.70 8.60 11.40 8.20 5.60 8.80 5.90 37.80 21.10 13.10 19.60 9.80 45.22 9.70 9.10 18.70 25.59 9.70 7.10 74.67 8.00 9.70 5.60 10.30 16.50 9.80 22.50 4.56 29.00 10.40 7.20 45.50 11.60 44.27 9.00 16.60 7.00 6.90 8.70 6.59 4.66 6.90 4.44 8.80 4.60 4.01 6.24 29.70 24.70 23.80 25.20 33.80 20.43 22.90 30.70 21.30 23.20 18.70 19.06 20.50 18.78 17.46 19.10 19.35 23.70 18.80 17.90 17.99 Threonine 97.40 88.94 41.91 137.60 48.30 160.30 68.10 84.15 35.30 121.80 113.00 39.60 91.90 89.70 56.30 84.50 90.45 83.60 110.80 128.08 80.60 60.83 103.20 127.10 94.30 50.30 60.50 93.50 118.40 44.80 128.00 76.40 133.70 139.30 95.30 167.40 48.60 43.50 110.26 183.50 358.10 89.60 68.10 69.30 59.10 77.90 81.30 87.12 103.40 141.80 144.40 78.60 87.20 65.22 34.50 99.10 90.90 112.70 54.20 96.70 94.40 67.20 44.90 61.14 115.20 113.30 32.27 24.69 55.99 107.50 75.15 110.50 158.20 137.30 89.40 102.50 51.60 129.10 129.20 100.70 34.72 45.61 65.60 35.30 45.20 57.64 64.40 155.91 33.10 93.26 37.32 23.72 39.70 159.50 122.90 74.60 130.00 56.60 200.30 136.50 72.65 116.30 81.60 65.00 178.40 134.30 249.29 60.00 85.89 52.75 177.90 126.40 63.70 96.80 70.76 94.50 178.70 152.50 52.10 58.10 131.30 49.51 40.70 56.60 66.20 46.10 90.40 147.49 112.90 98.00 40.52 109.40 76.20 45.30 50.90 83.20 63.97 76.80 81.60 154.50 95.60 94.18 63.14 116.10 63.50 27.33 66.22 108.20 130.00 133.10 64.00 60.50 109.00 151.30 169.50 170.60 175.20 164.50 89.80 111.10 24.29 89.60 160.10 217.40 76.00 57.90 107.40 149.10 162.00 103.40 96.40 67.90 167.70 58.80 109.00 98.50 226.00 66.32 155.70 150.40 66.67 78.20 54.50 107.80 108.10 55.60 69.60 167.00 18.66 168.50 159.40 76.30 93.50 33.10 193.33 68.60 38.20 52.30 51.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111.50 145.90 102.70 116.27 223.40 84.54 114.30 178.10 76.95 123.50 104.30 111.98 147.40 99.94 111.48 138.00 146.18 141.20 139.70 147.00 112.70 Thymol 5.50 15.72 4.96 9.20 5.70 27.70 15.50 4.82 5.90 7.40 13.80 13.60 6.70 33.00 13.70 13.30 22.50 7.00 11.90 2.70 7.20 4.72 8.40 10.40 6.50 8.00 5.60 9.10 8.10 8.20 8.60 7.60 10.10 7.30 8.60 9.10 4.30 5.50 3.02 6.40 2.30 5.60 4.80 8.80 6.00 11.60 7.30 19.79 6.70 29.40 10.90 10.70 3.30 6.02 5.00 8.60 4.30 3.50 13.50 6.40 15.87 9.90 9.50 17.36 10.97 11.90 15.47 16.09 14.51 11.50 25.65 6.70 11.70 7.60 4.50 6.60 22.40 6.70 14.20 11.30 10.69 12.21 13.90 7.50 9.60 4.82 8.50 14.58 6.70 27.70 6.35 14.81 8.00 11.90 7.00 11.20 12.30 5.90 9.00 11.40 8.79 6.90 6.60 9.80 11.00 8.20 29.64 6.70 9.08 8.65 11.50 5.90 7.30 7.20 18.79 14.70 5.90 11.60 8.80 6.80 5.80 5.07 9.50 5.90 4.80 3.00 12.20 4.65 4.60 6.10 6.52 6.80 7.70 13.40 6.50 7.30 2.86 10.40 5.90 10.90 12.80 4.80 3.43 13.40 7.00 2.98 10.73 6.40 6.10 12.80 6.00 8.20 10.50 11.40 12.70 9.10 12.50 9.20 9.40 13.70 4.43 7.80 14.30 7.30 5.20 9.40 8.20 10.20 8.20 12.80 9.10 10.20 6.10 0.70 6.30 7.10 6.00 2.94 10.70 5.90 2.67 11.10 7.10 7.40 5.70 7.20 8.70 11.90 1.99 9.80 12.70 10.40 7.70 5.10 11.20 8.70 5.30 12.10 11.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12.40 10.20 9.90 5.87 21.10 9.59 13.50 13.10 9.45 14.30 13.00 10.51 12.60 8.63 7.20 14.50 9.89 13.90 11.40 11.40 10.69 Trimethylamine N-oxide 28.50 8.42 24.15 18.60 19.70 33.60 20.80 7.65 15.10 18.40 26.20 20.20 18.20 65.00 22.50 21.00 9.60 15.00 15.20 11.66 57.40 7.64 12.00 27.60 18.50 12.30 15.00 29.30 18.90 18.20 16.20 11.90 24.70 16.00 19.60 22.60 25.20 21.30 18.10 38.60 76.10 22.30 17.80 14.40 11.70 20.10 42.70 12.96 24.00 11.20 20.00 20.10 24.20 6.74 14.90 23.10 16.70 16.80 34.30 36.40 9.60 32.40 24.70 25.07 6.86 12.50 6.27 10.63 11.61 14.70 8.70 22.70 19.20 19.60 28.60 13.50 6.53 19.80 18.20 18.60 8.06 10.60 18.70 7.70 10.80 9.28 16.70 18.55 20.70 11.66 5.73 16.96 18.10 26.20 15.00 23.00 18.10 17.70 26.90 18.60 9.61 23.90 24.20 20.80 24.50 18.40 40.18 21.50 9.08 11.67 11.00 18.20 16.70 18.40 30.76 16.00 24.20 20.40 24.60 16.50 22.00 13.03 22.30 10.20 7.30 6.30 15.40 11.05 24.80 17.50 9.07 24.60 20.80 21.20 25.00 23.10 7.49 20.20 17.70 20.00 12.40 12.06 9.14 20.50 23.30 7.85 13.11 11.40 20.50 17.00 42.17 16.90 17.70 16.70 18.10 22.80 18.40 19.00 17.40 18.00 18.14 20.00 18.20 18.70 28.00 13.20 16.30 18.00 19.00 28.90 16.80 33.00 26.40 10.08 16.90 38.30 16.80 9.71 15.20 19.10 9.67 14.30 13.20 15.00 18.80 19.40 16.20 20.20 4.13 23.00 19.90 18.50 32.10 17.70 6.27 11.70 16.30 22.80 15.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20.30 21.30 19.90 30.00 18.80 7.70 18.40 24.00 9.30 21.20 20.30 10.78 19.70 9.84 9.03 18.60 10.76 20.10 18.80 20.30 9.61 Tyrosine 47.60 26.36 36.16 40.90 27.00 26.10 25.90 23.66 25.70 30.90 26.10 29.70 21.50 22.90 37.20 54.20 33.75 21.40 21.10 28.89 57.90 29.31 24.30 22.00 35.80 15.70 27.10 26.30 43.00 25.50 19.50 19.70 19.60 26.00 25.10 41.70 28.30 22.20 20.30 29.80 101.50 14.50 34.40 47.20 16.70 19.30 52.10 23.28 39.00 24.20 13.00 33.00 37.10 35.40 16.40 29.70 16.60 20.90 43.30 91.50 34.27 65.90 34.20 39.34 40.87 28.30 20.13 32.03 33.87 25.80 33.75 30.00 47.70 21.40 34.60 25.30 38.27 22.10 26.30 30.60 31.53 31.00 34.70 28.90 29.50 23.38 21.30 39.09 37.00 46.08 18.74 44.71 33.80 34.20 28.80 25.90 24.20 24.70 46.50 38.30 26.79 19.20 24.80 33.70 40.60 31.20 66.96 26.40 75.95 27.67 43.90 33.60 38.20 22.80 40.61 26.20 29.20 23.70 36.60 28.00 35.50 35.11 37.40 20.90 35.80 24.70 49.80 52.65 26.30 19.50 29.89 25.50 41.60 43.90 58.50 29.40 27.36 34.10 41.70 52.70 26.50 41.51 36.29 48.90 37.50 39.64 45.16 32.80 36.00 28.60 92.17 36.90 47.40 51.20 49.30 41.80 39.90 37.90 25.00 36.90 46.71 36.80 37.80 42.70 53.70 31.40 32.30 27.30 24.00 41.20 32.80 48.40 38.00 40.18 24.60 32.00 27.20 34.26 32.80 27.90 59.00 30.60 20.90 23.80 25.10 21.40 24.00 32.60 24.07 40.20 27.40 22.40 43.40 19.00 75.47 25.70 15.40 31.70 28.40 33.00 37.55 35.12 21.80 49.71 35.70 47.71 35.39 40.23 27.90 33.70 22.80 38.93 55.10 27.34 29.20 36.20 25.95 30.20 26.70 37.72 26.00 24.53 33.38 24.40 24.58 32.90 31.70 27.20 33.55 Valine 143.40 107.84 157.84 189.20 181.60 134.80 139.40 133.45 135.90 200.40 169.90 147.70 161.80 130.30 180.10 196.70 200.25 156.20 131.20 279.98 188.10 92.50 166.70 179.00 110.60 133.20 164.00 138.10 212.30 174.70 166.20 109.30 141.20 150.00 188.40 163.90 130.10 139.10 125.07 153.50 326.40 152.10 144.50 147.80 133.40 126.60 141.20 162.67 204.50 129.10 146.30 185.60 122.80 94.74 93.50 125.90 119.70 166.80 180.70 307.40 192.40 228.10 146.20 162.96 145.78 135.00 96.67 126.25 135.47 154.50 180.30 159.60 170.90 167.60 175.20 161.00 129.47 113.20 160.50 160.30 183.33 90.42 164.00 119.20 175.50 80.52 102.00 134.93 137.10 172.94 49.08 202.40 156.80 153.80 135.40 146.70 144.60 155.80 169.20 151.40 148.82 97.10 137.00 149.50 142.60 155.10 301.43 124.70 302.94 165.59 234.70 169.00 127.40 130.00 199.39 126.20 180.00 144.60 136.30 142.40 141.10 105.05 191.20 60.90 90.60 91.40 172.50 192.00 127.30 125.20 118.58 157.20 177.40 165.00 163.60 137.10 113.79 138.90 155.20 144.30 146.80 155.94 163.14 187.50 175.00 185.35 160.77 164.50 134.50 132.20 303.50 130.40 126.40 176.70 166.50 169.80 175.20 167.70 135.90 226.10 144.14 161.70 148.50 219.30 215.60 130.60 115.40 157.80 148.70 142.60 122.20 187.30 184.30 196.00 141.50 138.80 170.60 134.56 141.50 140.10 206.67 171.80 131.90 133.00 146.20 136.90 134.50 182.90 92.86 196.20 157.50 169.90 212.70 113.40 257.07 131.70 118.70 138.30 145.90 120.00 100.83 99.23 73.30 115.47 125.60 113.29 118.74 98.07 111.30 179.90 158.20 188.27 198.60 142.53 162.60 181.10 148.35 156.00 152.80 164.42 165.00 146.43 147.46 168.50 154.76 166.00 167.20 151.30 152.07 myo-Inositol 114.00 87.35 100.66 59.20 58.80 155.30 103.10 37.54 53.80 88.70 59.10 91.90 93.40 74.30 59.30 57.40 72.75 50.20 64.80 105.43 275.50 47.50 69.80 155.10 59.00 65.30 73.00 166.30 53.40 70.90 72.20 74.50 78.10 103.90 97.90 110.70 174.80 87.10 160.46 433.20 948.10 84.30 113.80 83.70 84.30 66.40 215.00 79.04 153.70 65.00 66.70 144.10 77.50 64.50 68.80 146.60 67.60 91.10 172.40 335.30 94.80 166.80 106.60 192.66 102.17 87.70 68.13 83.91 42.02 78.30 85.95 118.30 218.20 133.80 246.20 109.20 49.20 134.00 122.80 92.00 66.25 126.24 108.80 82.80 73.80 27.95 206.00 115.05 71.00 109.58 18.58 90.13 85.10 177.50 106.70 87.20 106.50 103.90 120.60 101.70 73.06 85.80 140.90 162.80 212.80 141.60 192.68 133.10 233.76 166.31 98.50 75.20 74.40 69.70 167.12 127.80 126.80 89.80 130.70 85.10 157.70 62.54 74.50 51.40 67.70 47.60 111.00 100.51 89.30 87.10 101.58 69.80 90.00 71.90 125.40 68.80 69.01 57.60 101.30 85.60 55.80 122.85 90.86 187.30 175.70 84.83 179.18 95.10 109.10 90.90 363.67 71.20 94.70 93.20 120.30 147.40 123.70 117.20 57.60 131.10 67.71 76.90 124.20 99.50 89.00 79.60 60.50 93.80 99.70 120.00 65.90 98.90 95.10 82.88 95.30 107.30 92.20 56.03 80.60 84.30 101.83 64.60 71.30 70.50 97.00 87.60 74.10 118.60 30.62 132.00 104.80 96.60 179.70 69.60 190.53 55.40 62.70 69.80 73.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136.90 101.80 124.20 77.33 115.70 82.03 87.50 132.30 90.60 121.20 84.70 73.99 105.90 79.80 80.08 100.80 69.53 121.40 80.30 97.50 82.94 sn-Glycero-3-phosphocholine 146.00 149.29 31.20 41.50 26.70 56.40 69.60 15.16 31.30 41.40 35.30 30.50 45.10 27.10 48.00 37.00 33.00 23.40 65.30 19.26 29.80 14.72 14.90 49.80 38.80 26.40 38.20 34.40 34.30 39.90 18.40 30.20 28.40 34.60 32.00 66.50 57.90 122.80 39.50 74.70 212.50 50.30 29.70 39.40 25.70 53.90 227.80 51.85 41.20 38.60 53.00 73.30 32.80 15.19 27.30 45.40 15.40 15.00 24.40 22.70 30.93 19.30 39.20 48.60 33.46 15.40 27.47 26.41 17.00 19.10 21.75 30.20 43.20 26.00 36.90 34.80 34.00 53.30 22.70 25.80 23.33 71.63 58.90 45.10 32.60 14.35 43.70 21.64 30.10 51.57 4.18 34.64 23.90 41.90 26.70 49.80 33.20 39.60 42.50 47.50 16.91 51.00 46.50 71.60 34.10 22.20 168.93 25.40 63.99 43.67 26.90 31.90 28.90 45.60 35.15 17.90 28.70 43.10 44.40 35.50 120.40 68.85 22.90 25.70 19.40 11.80 36.70 32.87 15.10 22.80 32.58 15.50 29.50 22.90 30.70 30.10 19.46 42.60 36.50 21.50 22.70 43.72 37.14 72.10 32.00 25.57 17.88 41.50 31.10 29.30 7.83 34.90 28.20 25.90 33.10 50.30 35.70 36.10 22.20 51.90 45.00 13.40 25.70 28.70 19.30 41.40 17.40 28.10 27.60 33.70 36.50 39.70 24.00 49.00 41.70 17.00 39.20 16.91 38.60 69.60 44.67 34.10 27.90 24.70 41.00 18.40 29.30 55.80 8.12 43.40 35.80 20.90 30.10 43.50 26.27 22.60 28.90 16.20 33.80 129.90 91.25 88.89 42.20 93.14 124.60 78.86 83.08 81.15 37.90 36.20 39.30 25.47 77.10 24.99 40.30 46.50 27.15 41.90 36.00 47.18 51.50 25.29 35.98 45.70 38.25 52.70 34.70 47.50 23.68 τ-Methylhistidine 53.50 43.36 71.41 85.20 75.80 61.40 96.30 75.51 78.10 97.50 70.30 83.00 73.40 67.20 102.00 114.80 70.35 52.60 71.00 83.13 96.40 35.69 70.30 66.80 102.30 62.10 71.00 35.10 89.20 89.70 73.20 38.50 53.80 75.70 67.90 93.30 58.30 46.50 67.06 68.80 27.10 49.10 68.10 77.40 56.00 70.40 60.30 47.39 130.40 75.00 54.60 89.50 48.00 52.46 36.20 59.60 47.30 67.40 98.60 111.60 94.80 30.10 100.10 68.08 67.20 57.50 47.20 40.47 54.19 74.00 55.05 74.00 82.50 59.80 83.70 80.60 68.67 41.90 90.40 70.00 30.83 49.47 90.20 66.00 69.90 27.21 48.30 59.18 68.20 61.85 0.00 72.31 75.60 111.60 55.50 47.00 77.30 75.80 85.00 75.40 49.92 56.50 54.20 63.50 92.40 70.50 161.43 56.20 119.47 75.81 106.00 67.40 55.30 64.60 73.94 75.30 97.40 65.20 51.70 67.30 55.30 52.25 110.00 33.60 38.00 22.60 72.70 67.78 74.70 67.40 67.01 62.50 100.80 96.00 73.90 71.10 56.76 62.40 79.80 70.30 72.40 79.65 45.43 94.50 72.50 40.59 56.81 94.10 65.10 85.30 107.83 58.70 83.50 107.50 88.80 80.80 100.00 75.10 63.00 96.10 79.57 74.80 110.50 80.90 92.90 69.80 65.40 69.60 64.30 80.00 61.80 88.90 61.80 68.18 62.70 76.50 87.50 68.24 86.80 77.30 81.67 69.70 65.40 73.40 51.30 52.80 66.10 96.80 30.34 85.10 68.30 88.20 83.30 63.10 101.33 66.60 57.80 64.20 101.60 39.60 53.96 43.71 14.10 48.64 24.90 53.49 49.63 40.78 35.00 100.00 69.00 62.40 80.10 42.90 61.20 91.50 56.25 73.80 85.90 48.63 79.30 62.84 52.68 81.10 77.82 95.50 85.00 74.50 53.31 NMR_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name RefMet name pubchem_cid inchi_key 2-Hydroxybutyrate 2-hydroxybutyric acid 449265 AFENDNXGAFYKQO-GSVOUGTGSA-N 3-Aminoisobutyrate 3-amino-isobutanoic acid 64956 QCHPKSFMDHPSNR-UHFFFAOYSA-N 3-Hydroxybutyrate beta-hydroxybutyric acid 441 WHBMMWSBFZVSSR-UHFFFAOYSA-N 3-Methyl-2-oxovalerate 3-Methyl-2-oxovaleric acid 440877 JVQYSWDUAOAHFM-SCSAIBSYSA-N Acetate Acetic acid 176 QTBSBXVTEAMEQO-UHFFFAOYSA-N Acetone Acetone 180 CSCPPACGZOOCGX-UHFFFAOYSA-N Alanine Alanine 5950 QNAYBMKLOCPYGJ-REOHCLBHSA-N Betaine Betaine 247 KWIUHFFTVRNATP-UHFFFAOYSA-N Choline Choline 305 OEYIOHPDSNJKLS-UHFFFAOYSA-N Citrate Citric acid 311 KRKNYBCHXYNGOX-UHFFFAOYSA-N Creatine Creatine 586 CVSVTCORWBXHQV-UHFFFAOYSA-N Creatinine Creatinine 588 DDRJAANPRJIHGJ-UHFFFAOYSA-N Cysteine Cysteine 5862 XUJNEKJLAYXESH-REOHCLBHSA-N Dimethylamine Dimethylamine 674 ROSDSFDQCJNGOL-UHFFFAOYSA-N Ethanol Ethanol 702 LFQSCWFLJHTTHZ-UHFFFAOYSA-N Formate Formic acid 284 BDAGIHXWWSANSR-UHFFFAOYSA-N Glucose Glucose 5793 WQZGKKKJIJFFOK-GASJEMHNSA-N Glutamate Glutamic acid 33032 WHUUTDBJXJRKMK-VKHMYHEASA-N Glutamine Glutamine 5961 ZDXPYRJPNDTMRX-VKHMYHEASA-N Glycerol Glycerol 753 PEDCQBHIVMGVHV-UHFFFAOYSA-N Glycine Glycine 750 DHMQDGOQFOQNFH-UHFFFAOYSA-N Glycolate Glycolic acid 757 AEMRFAOFKBGASW-UHFFFAOYSA-N Isobutyrate Isobutyric acid 6590 KQNPFQTWMSNSAP-UHFFFAOYSA-N Isoleucine Isoleucine 6306 AGPKZVBTJJNPAG-WHFBIAKZSA-N Isopropanol Isopropyl alcohol 3776 KFZMGEQAYNKOFK-UHFFFAOYSA-N Lactate Lactic acid 107689 JVTAAEKCZFNVCJ-REOHCLBHSA-N Leucine Leucine 6106 ROHFNLRQFUQHCH-YFKPBYRVSA-N Lysine Lysine 5962 KDXKERNSBIXSRK-YFKPBYRVSA-N Malate Malic acid 222656 BJEPYKJPYRNKOW-REOHCLBHSA-N Mannose Mannose 18950 WQZGKKKJIJFFOK-QTVWNMPRSA-N Methanol Methanol 887 OKKJLVBELUTLKV-UHFFFAOYSA-N Methionine Methionine 6137 FFEARJCKVFRZRR-BYPYZUCNSA-N Methylamine myo-Inositol Myo-inositol 892 CDAISMWEOUEBRE-GPIVLXJGSA-N O-Acetylcarnitine CAR(2:0) 18230 RDHQFKQIGNGIED-QMMMGPOBSA-N O-Acetylcholine Acetylcholine 187 OIPILFWXSMYKGL-UHFFFAOYSA-N O-Phosphocholine Choline phosphate 135437 YHHSONZFOIEMCP-UHFFFAOYSA-N Phenylalanine Phenylalanine 6140 COLNVLDHVKWLRT-QMMMGPOBSA-N Proline Proline 145742 ONIBWKKTOPOVIA-BYPYZUCNSA-N Propionate Propionic acid 1032 XBDQKXXYIPTUBI-UHFFFAOYSA-N Propylene glycol Propylene glycol 439846 DNIAPMSPPWPWGF-VKHMYHEASA-N Pyruvate Pyruvic acid 1060 LCTONWCANYUPML-UHFFFAOYSA-N Serine Serine 5951 MTCFGRXMJLQNBG-REOHCLBHSA-N sn-Glycero-3-phosphocholine sn-glycero-3-phosphocholine 657272 SUHOQUVVVLNYQR-MRVPVSSYSA-N Succinate Succinic acid 1110 KDYFGRWQOYBRFD-UHFFFAOYSA-N Threonine Threonine 6288 AYFVYJQAPQTCCC-GBXIJSLDSA-N Thymol Thymol 6989 MGSRCZKZVOBKFT-UHFFFAOYSA-N Trimethylamine N-oxide Trimethylamine N-oxide 1145 UYPYRKYUKCHHIB-UHFFFAOYSA-N Tyrosine Tyrosine 6057 OUYCCCASQSFEME-QMMMGPOBSA-N Valine Valine 6287 KZSNJWFQEVHDMF-BYPYZUCNSA-N τ-Methylhistidine 1-Methylhistidine 92105 BRMWTNUJHUMWMS-LURJTMIESA-N METABOLITES_END #END