#METABOLOMICS WORKBENCH philipp_westhoff_20230626_135907 DATATRACK_ID:4120 STUDY_ID:ST002779 ANALYSIS_ID:AN004526 PROJECT_ID:PR001734 VERSION 1 CREATED_ON July 12, 2023, 2:05 pm #PROJECT PR:PROJECT_TITLE 20-0029 - Role of spatial differentiation of metabolism in local colonization of PR:PROJECT_TITLE microbiota along the root axis PR:PROJECT_SUMMARY Longitudinal gut-axes of animals show spatial heterogeneity of microbiota PR:PROJECT_SUMMARY related to physiological differentiation. Plant roots show functional PR:PROJECT_SUMMARY heterogeneity in cellular architecture, transcriptome, metabolic states, and PR:PROJECT_SUMMARY immunity. We hypothesized that axial differentiation impacts spatial PR:PROJECT_SUMMARY colonization by rhizobiota along the root axis. We developed two growth systems, PR:PROJECT_SUMMARY ArtSoil and CD-Rhizotrons, to dissect Arabidopsis thaliana roots into three PR:PROJECT_SUMMARY segments. We identified distinct rhizobiota communities in the segments, PR:PROJECT_SUMMARY supporting spatial microbiota differentiation along the axis. Root metabolite PR:PROJECT_SUMMARY profiling revealed differential enrichment and specificity. Correlation analyses PR:PROJECT_SUMMARY point to strong reliance of rhizobiota on carbohydrate supply from the host. PR:PROJECT_SUMMARY Bioinformatic analyses and GUS histochemistry indicate sugar and/or PR:PROJECT_SUMMARY microbe-induced accumulation of SWEET2, 4, and 12 sugar uniporters. Profiling of PR:PROJECT_SUMMARY root-segments in sweet mutants showed impaired spatial rhizobiota arrangement. PR:PROJECT_SUMMARY Correlation analysis revealed complex interconnected metabolite-rhizobiota PR:PROJECT_SUMMARY networks. This work uncovers interdependency between root physiology and PR:PROJECT_SUMMARY microbiota colonization and a contribution of SWEETs to shaping local adaptation PR:PROJECT_SUMMARY of root microbiota. PR:INSTITUTE Heinrich Heine University Düsseldorf PR:LABORATORY Plant Metabolism and Metabolomics Laboratory PR:LAST_NAME Westhoff PR:FIRST_NAME Philipp PR:ADDRESS Universitätsstr. 1 40225 Düsseldorf PR:EMAIL philipp.westhoff@hhu.de PR:PHONE +49 211-8110926 #STUDY ST:STUDY_TITLE Contribution of sugar transporters to spatial microbiota colonization along the ST:STUDY_TITLE longitudinal root axis of Arabidopsis ST:STUDY_SUMMARY Longitudinal gut-axes of animals show spatial heterogeneity of microbiota ST:STUDY_SUMMARY related to physiological differentiation. Plant roots show functional ST:STUDY_SUMMARY heterogeneity in cellular architecture, transcriptome, metabolic states, and ST:STUDY_SUMMARY immunity. We hypothesized that axial differentiation impacts spatial ST:STUDY_SUMMARY colonization by rhizobiota along the root axis. We developed two growth systems, ST:STUDY_SUMMARY ArtSoil and CD-Rhizotrons, to dissect Arabidopsis thaliana roots into three ST:STUDY_SUMMARY segments. We identified distinct rhizobiota communities in the segments, ST:STUDY_SUMMARY supporting spatial microbiota differentiation along the axis. Root metabolite ST:STUDY_SUMMARY profiling revealed differential enrichment and specificity. Correlation analyses ST:STUDY_SUMMARY point to strong reliance of rhizobiota on carbohydrate supply from the host. ST:STUDY_SUMMARY Bioinformatic analyses and GUS histochemistry indicate sugar and/or ST:STUDY_SUMMARY microbe-induced accumulation of SWEET2, 4, and 12 sugar uniporters. Profiling of ST:STUDY_SUMMARY root-segments in sweet mutants showed impaired spatial rhizobiota arrangement. ST:STUDY_SUMMARY Correlation analysis revealed complex interconnected metabolite-rhizobiota ST:STUDY_SUMMARY networks. This work uncovers interdependency between root physiology and ST:STUDY_SUMMARY microbiota colonization and a contribution of SWEETs to shaping local adaptation ST:STUDY_SUMMARY of root microbiota. ST:INSTITUTE Heinrich Heine University Düsseldorf ST:LAST_NAME Westhoff ST:FIRST_NAME Philipp ST:ADDRESS Universitätsstr. 1 40225 Düsseldorf ST:EMAIL philipp.westhoff@hhu.de ST:PHONE +49 211-8110926 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Arabidopsis thaliana SU:TAXONOMY_ID 3702 #SUBJECT_SAMPLE_FACTORS: SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data SUBJECT_SAMPLE_FACTORS - 20-0029_120 region:2cm | genotype:WT Sample.weight.[mg]=11.9; RAW_FILE_NAME=220512_qtof_05.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_121 region:4cm | genotype:WT Sample.weight.[mg]=23.3; RAW_FILE_NAME=220512_qtof_06.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_122 region:6cm | genotype:WT Sample.weight.[mg]=25; RAW_FILE_NAME=220512_qtof_07.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_123 region:2cm | genotype:WT Sample.weight.[mg]=18.4; RAW_FILE_NAME=220512_qtof_08.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_124 region:4cm | genotype:WT Sample.weight.[mg]=16.6; RAW_FILE_NAME=220512_qtof_09.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_125 region:4cm | genotype:WT Sample.weight.[mg]=17.2; RAW_FILE_NAME=220512_qtof_10.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_126 region:6cm | genotype:WT Sample.weight.[mg]=19.3; RAW_FILE_NAME=220512_qtof_11.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_127 region:6cm | genotype:WT Sample.weight.[mg]=15.1; RAW_FILE_NAME=220512_qtof_12.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_128 region:whole | genotype:WT Sample.weight.[mg]=23; RAW_FILE_NAME=220512_qtof_15.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_129 region:whole | genotype:WT Sample.weight.[mg]=21.5; RAW_FILE_NAME=220512_qtof_16.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_130 region:2cm | genotype:WT Sample.weight.[mg]=10.4; RAW_FILE_NAME=220512_qtof_17.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_131 region:4cm | genotype:WT Sample.weight.[mg]=17.3; RAW_FILE_NAME=220512_qtof_18.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_132 region:6cm | genotype:WT Sample.weight.[mg]=12.7; RAW_FILE_NAME=220512_qtof_19.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_133 region:whole | genotype:WT Sample.weight.[mg]=17.9; RAW_FILE_NAME=220512_qtof_20.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_145 region:whole | genotype:WT Sample.weight.[mg]=23.5; RAW_FILE_NAME=220512_qtof_34.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_146 region:whole | genotype:WT Sample.weight.[mg]=20.4; RAW_FILE_NAME=220512_qtof_35.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_176 region:whole | genotype:sweet11;12 Sample.weight.[mg]=12.1; RAW_FILE_NAME=221019_sq_11.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_177 region:2cm | genotype:sweet11;12 Sample.weight.[mg]=7; RAW_FILE_NAME=221019_sq_12.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_178 region:4cm | genotype:sweet11;12 Sample.weight.[mg]=7.4; RAW_FILE_NAME=221019_sq_13.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_179 region:6cm | genotype:sweet11;12 Sample.weight.[mg]=5; RAW_FILE_NAME=221019_sq_14.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_180 region:2cm | genotype:sweet2 Sample.weight.[mg]=9.4; RAW_FILE_NAME=221019_sq_17.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_181 region:4cm | genotype:sweet2 Sample.weight.[mg]=10.2; RAW_FILE_NAME=221019_sq_18.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_182 region:6cm | genotype:sweet2 Sample.weight.[mg]=10.6; RAW_FILE_NAME=221019_sq_19.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_183 region:whole | genotype:sweet2 Sample.weight.[mg]=10.8; RAW_FILE_NAME=221019_sq_20.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_184 region:whole | genotype:sweet2 Sample.weight.[mg]=14.6; RAW_FILE_NAME=221019_sq_21.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_185 region:2cm | genotype:sweet4 Sample.weight.[mg]=13.4; RAW_FILE_NAME=221019_sq_22.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_186 region:4cm | genotype:sweet4 Sample.weight.[mg]=7.8; RAW_FILE_NAME=221019_sq_23.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_187 region:6cm | genotype:sweet4 Sample.weight.[mg]=17.5; RAW_FILE_NAME=221019_sq_24.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_188 region:whole | genotype:sweet4 Sample.weight.[mg]=21.6; RAW_FILE_NAME=221019_sq_25.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_189 region:whole | genotype:sweet4 Sample.weight.[mg]=15.7; RAW_FILE_NAME=221019_sq_26.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_190 region:2cm | genotype:sweet11;12 Sample.weight.[mg]=5.6; RAW_FILE_NAME=221019_sq_29.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_191 region:4cm | genotype:sweet11;12 Sample.weight.[mg]=9.4; RAW_FILE_NAME=221019_sq_30.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_192 region:6cm | genotype:sweet11;12 Sample.weight.[mg]=11.6; RAW_FILE_NAME=221019_sq_31.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_193 region:whole | genotype:sweet11;12 Sample.weight.[mg]=7.5; RAW_FILE_NAME=221019_sq_32.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_194 region:2cm | genotype:sweet2 Sample.weight.[mg]=8.1; RAW_FILE_NAME=221019_sq_33.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_195 region:4cm | genotype:sweet2 Sample.weight.[mg]=13.2; RAW_FILE_NAME=221019_sq_34.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_196 region:6cm | genotype:sweet2 Sample.weight.[mg]=11.2; RAW_FILE_NAME=221019_sq_35.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_197 region:whole | genotype:sweet2 Sample.weight.[mg]=23.3; RAW_FILE_NAME=221019_sq_36.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_198 region:whole | genotype:sweet2 Sample.weight.[mg]=16.8; RAW_FILE_NAME=221019_sq_37.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_199 region:2cm | genotype:sweet4 Sample.weight.[mg]=18.2; RAW_FILE_NAME=221020_sq_05.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_200 region:4cm | genotype:sweet4 Sample.weight.[mg]=22.8; RAW_FILE_NAME=221020_sq_06.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_201 region:4cm | genotype:sweet4 Sample.weight.[mg]=14.2; RAW_FILE_NAME=221020_sq_07.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_202 region:6cm | genotype:sweet4 Sample.weight.[mg]=9.2; RAW_FILE_NAME=221020_sq_08.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_203 region:6cm | genotype:sweet4 Sample.weight.[mg]=17.2; RAW_FILE_NAME=221020_sq_09.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_204 region:whole | genotype:sweet4 Sample.weight.[mg]=32.2; RAW_FILE_NAME=221020_sq_10.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_205 region:whole | genotype:sweet4 Sample.weight.[mg]=16.2; RAW_FILE_NAME=221020_sq_11.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_206 region:2cm | genotype:sweet11;12 Sample.weight.[mg]=7; RAW_FILE_NAME=221020_sq_12.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_207 region:4cm | genotype:sweet11;12 Sample.weight.[mg]=8.6; RAW_FILE_NAME=221020_sq_13.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_208 region:6cm | genotype:sweet11;12 Sample.weight.[mg]=11.8; RAW_FILE_NAME=221020_sq_14.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_209 region:whole | genotype:sweet11;12 Sample.weight.[mg]=12.8; RAW_FILE_NAME=221020_sq_15.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_210 region:whole | genotype:sweet11;12 Sample.weight.[mg]=16.6; RAW_FILE_NAME=221020_sq_16.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_154 region:6cm | genotype:sweet2 Sample.weight.[mg]=15.7; RAW_FILE_NAME=221020_sq_19.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_155 region:4cm | genotype:sweet2 Sample.weight.[mg]=9.9; RAW_FILE_NAME=221020_sq_20.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_156 region:whole | genotype:sweet2 Sample.weight.[mg]=18.1; RAW_FILE_NAME=221020_sq_21.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_157 region:whole | genotype:sweet2 Sample.weight.[mg]=17; RAW_FILE_NAME=221020_sq_22.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_158 region:2cm | genotype:sweet2 Sample.weight.[mg]=11.3; RAW_FILE_NAME=221020_sq_23.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_159 region:4cm | genotype:sweet2 Sample.weight.[mg]=5.5; RAW_FILE_NAME=221020_sq_24.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_170 region:2cm | genotype:sweet11;12 Sample.weight.[mg]=11; RAW_FILE_NAME=221020_sq_27.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_171 region:4cm | genotype:sweet11;12 Sample.weight.[mg]=9.5; RAW_FILE_NAME=221020_sq_28.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_172 region:6cm | genotype:sweet11;12 Sample.weight.[mg]=7.5; RAW_FILE_NAME=221020_sq_29.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_173 region:4cm | genotype:sweet11;12 Sample.weight.[mg]=10.3; RAW_FILE_NAME=221020_sq_30.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_174 region:6cm | genotype:sweet11;12 Sample.weight.[mg]=10; RAW_FILE_NAME=221020_sq_31.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_175 region:whole | genotype:sweet11;12 Sample.weight.[mg]=17.4; RAW_FILE_NAME=221020_sq_32.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_150 region:2cm | genotype:sweet2 Sample.weight.[mg]=9; RAW_FILE_NAME=221025_sq_05.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_151 region:4cm | genotype:sweet2 Sample.weight.[mg]=16; RAW_FILE_NAME=221025_sq_06.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_152 region:6cm | genotype:sweet2 Sample.weight.[mg]=6.8; RAW_FILE_NAME=221025_sq_07.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_153 region:whole | genotype:sweet2 Sample.weight.[mg]=20; RAW_FILE_NAME=221025_sq_08.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_160 region:6cm | genotype:sweet2 Sample.weight.[mg]=8.8; RAW_FILE_NAME=221025_sq_11.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_161 region:2cm | genotype:sweet4 Sample.weight.[mg]=9.2; RAW_FILE_NAME=221025_sq_12.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_162 region:4cm | genotype:sweet4 Sample.weight.[mg]=10.3; RAW_FILE_NAME=221025_sq_13.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_163 region:6cm | genotype:sweet4 Sample.weight.[mg]=12.6; RAW_FILE_NAME=221025_sq_14.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_164 region:whole | genotype:sweet4 Sample.weight.[mg]=12.3; RAW_FILE_NAME=221025_sq_15.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_165 region:whole | genotype:sweet4 Sample.weight.[mg]=16.6; RAW_FILE_NAME=221025_sq_16.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_166 region:whole | genotype:sweet4 Sample.weight.[mg]=23; RAW_FILE_NAME=221025_sq_17.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_167 region:2cm | genotype:sweet4 Sample.weight.[mg]=11.5; RAW_FILE_NAME=221025_sq_18.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_168 region:4cm | genotype:sweet4 Sample.weight.[mg]=22.6; RAW_FILE_NAME=221025_sq_19.cdf SUBJECT_SAMPLE_FACTORS - 20-0029_169 region:6cm | genotype:sweet4 Sample.weight.[mg]=24.8; RAW_FILE_NAME=221025_sq_20.cdf #COLLECTION CO:COLLECTION_SUMMARY Approximately 25-35 sterilized A. thaliana seeds were sown in a row on ArtSoil CO:COLLECTION_SUMMARY and grown for 3 weeks. After 3 weeks, the roots were measured (2, 4, and 6 cm CO:COLLECTION_SUMMARY from the root tip) and harvested by slicing with a scalpel. The roots were CO:COLLECTION_SUMMARY rinsed in distilled water, and blotted dry on Whatman filter papers before they CO:COLLECTION_SUMMARY were weighed and kept in 1.5 ml microcentrifuge tubes containing 2 metal beads CO:COLLECTION_SUMMARY each. The samples were flash frozen in liquid nitrogen and stored in -80°C CO:COLLECTION_SUMMARY until the extraction process. CO:SAMPLE_TYPE Arabidopsis thaliana #TREATMENT TR:TREATMENT_SUMMARY no treatment #SAMPLEPREP SP:SAMPLEPREP_SUMMARY For metabolite extraction, 0.5 mL of chilled extraction buffer (2:5:2 ratio of SP:SAMPLEPREP_SUMMARY ddH2O: methanol: chloroform containing 5µM ribitol as internal standard) was SP:SAMPLEPREP_SUMMARY added into each root sample and vortex for 20 secs. Metal beads in the tubes SP:SAMPLEPREP_SUMMARY were removed. Sample tubes were shaken on a rotary shaker for 30 mins at 4°C. SP:SAMPLEPREP_SUMMARY The samples were then centrifuged at 20, 000g for 5 mins at 4°C. After SP:SAMPLEPREP_SUMMARY centrifugation, 0.5 ml of supernatant was carefully aspirated and transferred to SP:SAMPLEPREP_SUMMARY a clean 1.5 ml microcentrifuge tube. Samples were stored at-80°C. For GC-MS SP:SAMPLEPREP_SUMMARY analysis 30µl of sample were dried by vacuum centrifugation in glass inlet SP:SAMPLEPREP_SUMMARY tubes. Dried samples were derivatized according to (Gu et al. 2012 SP:SAMPLEPREP_SUMMARY DOI:10.1039/c2ib00109h) and measured as described (Shim et al. 2019 SP:SAMPLEPREP_SUMMARY DOI:10.3389/fpls.2019.01726) #CHROMATOGRAPHY CH:CHROMATOGRAPHY_SUMMARY Dried samples were derivatized according to (Gu et al. 2012 CH:CHROMATOGRAPHY_SUMMARY DOI:10.1039/c2ib00109h) and measured as described (Shim et al. 2019 CH:CHROMATOGRAPHY_SUMMARY DOI:10.3389/fpls.2019.01726) CH:CHROMATOGRAPHY_TYPE GC CH:INSTRUMENT_NAME Agilent 7890B CH:COLUMN_NAME Agilent HP5-MS (30m x 0.25mm, 0.25um) CH:SOLVENT_A N/A for GC CH:SOLVENT_B N/A for GC CH:SOLVENT_C N/A for GC CH:FLOW_GRADIENT N/A for GC CH:FLOW_RATE N/A for GC CH:COLUMN_TEMPERATURE N/A for GC #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Agilent 5977B MS:INSTRUMENT_TYPE Single quadrupole MS:MS_TYPE EI MS:ION_MODE POSITIVE MS:MS_COMMENTS Metabolites were ionized with an electron impact source at 70V and 200 °C MS:MS_COMMENTS source temperature and recorded in a mass range of m/z 60 to m/z 800 at 20 scans MS:MS_COMMENTS per second #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Relative intensity MS_METABOLITE_DATA_START Samples 20-0029_150 20-0029_158 20-0029_180 20-0029_194 20-0029_151 20-0029_155 20-0029_159 20-0029_181 20-0029_195 20-0029_152 20-0029_154 20-0029_160 20-0029_182 20-0029_196 20-0029_153 20-0029_156 20-0029_157 20-0029_183 20-0029_184 20-0029_197 20-0029_198 20-0029_161 20-0029_167 20-0029_185 20-0029_199 20-0029_162 20-0029_168 20-0029_186 20-0029_200 20-0029_201 20-0029_163 20-0029_169 20-0029_187 20-0029_202 20-0029_203 20-0029_164 20-0029_165 20-0029_166 20-0029_188 20-0029_189 20-0029_204 20-0029_205 20-0029_170 20-0029_177 20-0029_190 20-0029_206 20-0029_171 20-0029_173 20-0029_178 20-0029_191 20-0029_207 20-0029_172 20-0029_174 20-0029_179 20-0029_192 20-0029_208 20-0029_175 20-0029_176 20-0029_193 20-0029_209 20-0029_210 Factors region:2cm | genotype:sweet2 region:2cm | genotype:sweet2 region:2cm | genotype:sweet2 region:2cm | genotype:sweet2 region:4cm | genotype:sweet2 region:4cm | genotype:sweet2 region:4cm | genotype:sweet2 region:4cm | genotype:sweet2 region:4cm | genotype:sweet2 region:6cm | genotype:sweet2 region:6cm | genotype:sweet2 region:6cm | genotype:sweet2 region:6cm | genotype:sweet2 region:6cm | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:whole | genotype:sweet2 region:2cm | genotype:sweet4 region:2cm | genotype:sweet4 region:2cm | genotype:sweet4 region:2cm | genotype:sweet4 region:4cm | genotype:sweet4 region:4cm | genotype:sweet4 region:4cm | genotype:sweet4 region:4cm | genotype:sweet4 region:4cm | genotype:sweet4 region:6cm | genotype:sweet4 region:6cm | genotype:sweet4 region:6cm | genotype:sweet4 region:6cm | genotype:sweet4 region:6cm | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:whole | genotype:sweet4 region:2cm | genotype:sweet11;12 region:2cm | genotype:sweet11;12 region:2cm | genotype:sweet11;12 region:2cm | genotype:sweet11;12 region:4cm | genotype:sweet11;12 region:4cm | genotype:sweet11;12 region:4cm | genotype:sweet11;12 region:4cm | genotype:sweet11;12 region:4cm | genotype:sweet11;12 region:6cm | genotype:sweet11;12 region:6cm | genotype:sweet11;12 region:6cm | genotype:sweet11;12 region:6cm | genotype:sweet11;12 region:6cm | genotype:sweet11;12 region:whole | genotype:sweet11;12 region:whole | genotype:sweet11;12 region:whole | genotype:sweet11;12 region:whole | genotype:sweet11;12 region:whole | genotype:sweet11;12 5-oxo-proline 1575.040158 2484.234294 3982.696696 3595.588865 814.7208215 1693.475614 2527.578302 1435.86888 1833.801767 1505.375016 1034.351326 1646.485844 2229.757581 1974.73154 1740.496204 1399.381802 1538.857842 2069.928149 1777.70855 2177.096718 2251.701136 2710.072004 2390.609966 2895.356906 1728.287056 1734.671217 1660.136357 2538.47652 1422.055335 1430.331433 1482.883025 1185.147222 1605.282896 1776.337699 1367.92685 1723.74685 1605.423885 1655.987841 1800.504453 1975.229126 2170.725623 2233.721078 2301.17158 3069.919042 2714.833997 3916.61532 1187.987259 1576.477145 1925.101179 1861.886649 3183.119107 1232.677447 1328.365013 1646.525091 1689.539212 2530.367304 2134.350137 1880.053115 2904.888241 2534.42367 3357.225352 alanine 369.7078804 486.4990005 862.3541193 687.9513236 183.5397062 553.1924064 503.90002 285.9504583 419.0843021 387.0381154 228.2410624 560.540258 663.8653762 327.7008445 343.7748643 441.510182 363.0006061 873.4443976 409.3246303 258.5953502 330.2625606 565.4354698 486.2731389 620.6320998 339.3646757 463.4068599 297.5500424 385.3996984 326.4679801 254.5409927 331.1161808 240.5711679 346.9816388 524.0630989 292.4278631 487.3891502 309.7567887 353.9936049 328.1372594 327.7276297 233.208961 495.2847613 682.2973939 782.465603 884.0063438 644.8052482 450.2830802 398.953198 430.8922199 495.9518523 605.7969734 407.5322925 406.1888697 547.7991535 446.5508894 379.975403 452.6453281 347.342461 1024.96138 523.2022692 374.6916017 asparagine 127.4824749 151.8733544 169.2800695 336.1030455 56.08250102 180.5443325 99.78685083 69.08751533 434.4091632 120.3007693 109.2177951 168.6667498 174.3857957 512.3252088 176.8317534 168.2877542 203.2730572 145.1391714 127.3649373 528.3389805 445.2034554 136.7498367 184.9316942 214.0589756 321.8504213 127.4567068 232.7688217 132.9039199 159.9720463 340.2013204 131.1977123 168.560504 129.1029848 299.4813105 311.5108463 221.116122 110.124517 274.5107691 129.7166214 152.1209901 574.7932242 386.1487402 192.8132407 485.2036365 123.3837332 259.8096725 109.5287455 140.4021849 135.5377542 112.1278823 323.8513513 154.9882717 225.7688926 169.0734803 136.2651829 455.7938754 287.3934959 88.43329211 185.970763 266.3786429 519.6026878 aspartate 888.0112584 1454.262748 1531.782979 1924.529118 382.5886903 1217.309405 1411.670712 681.1551623 1294.826964 644.4271106 583.7525606 1288.237794 1111.109227 827.5440465 1046.616946 747.6629241 721.994679 871.653128 726.6484623 1043.986259 1448.500886 1234.529314 1305.906559 1558.264331 972.7611818 1433.695109 1125.445672 1083.958898 544.3139234 1035.653337 1108.50894 648.8688256 803.6843002 618.5661846 834.3593883 1547.413223 727.2996774 1186.604341 792.3381832 887.9470351 1175.095036 1175.135282 1664.313957 1904.912382 1162.421269 2281.039405 829.061783 939.4782804 1021.512802 956.6406123 2005.32323 572.1457413 684.2598113 749.3085459 719.4928215 1435.719944 1354.844756 816.771714 1170.029867 1696.125135 1722.529092 sterol_ergostane 25.2589338 64.05123666 51.86635595 63.86187315 21.36604882 80.23737847 60.19776392 29.96313302 54.54339003 47.18638946 40.79014122 49.64600079 67.69327875 69.07647721 52.36627194 64.97070227 59.98714141 72.64012362 51.05991628 55.72011249 55.99238737 47.9181339 63.26682427 62.65263224 39.37888526 57.03176165 47.41681838 55.66419786 36.10424277 43.82302628 52.03107459 62.87221633 57.75231692 63.62555781 60.74345565 79.44864888 41.14894196 54.94994506 61.7779282 63.41411164 64.52859291 123.6558215 57.07015613 176.9484048 42.70006731 58.00434457 46.34167323 53.04390509 54.59148507 40.81444112 66.25233169 55.25080197 60.40595054 63.41718176 48.93930257 69.53527812 78.15006153 38.45185161 73.77595551 51.6471701 72.57054033 (iso)-citrate 226.040068 524.0933965 735.8311561 564.4046697 136.894386 383.3853165 478.2563846 313.0188891 390.622048 488.5758245 450.9164531 528.8714498 788.5097845 579.1790372 523.1146109 477.5735845 441.4506742 1069.540362 831.5051513 433.1303882 509.315821 433.1885704 387.0920159 793.7616995 403.001297 368.8848554 291.3441112 515.5085804 202.7784074 333.7630561 360.972348 401.3848662 543.5266032 489.6401297 362.2760567 542.0595236 394.6439819 493.5500481 554.8565525 800.2554233 410.1718051 530.4317628 510.5131455 1117.245529 558.1493471 676.5187676 251.3369497 335.7891173 255.7950012 524.866175 601.3268073 571.621512 676.6870469 429.3097953 641.8471483 767.2549129 696.7328698 312.1596834 878.1000345 587.9527326 714.5484353 DMPA (ISTD) 1015.754518 670.5194525 776.2504755 919.0617266 509.8933625 953.6885174 1663.577636 853.369909 555.4594176 1395.002148 614.8811958 1092.39156 764.3962688 691.7035196 422.798114 524.8854699 570.2871955 727.2510472 625.8478151 324.1254967 451.4189879 789.2932287 755.9376719 481.2449543 403.1836777 865.1469308 426.1528007 1112.269269 353.3997306 525.6723038 709.3152096 391.4411606 514.711307 895.3238639 479.2140949 697.0757342 542.9876357 396.5442803 398.977742 544.0471842 258.3534812 479.1201442 748.3711249 1353.376681 1341.127572 1035.212494 925.8122043 714.2305462 1303.29805 852.4645929 952.9461742 1137.271444 841.7270186 1758.200424 657.736016 710.742258 557.7030553 740.5575271 1065.312821 666.0643728 427.5147589 fructose 303.7875183 255.3538608 661.6705842 283.065836 206.6696571 326.6404544 220.7724622 411.0316495 180.0275952 220.0684271 127.316642 162.0935085 1377.27959 47.80136901 458.6764577 187.3357053 108.1787576 1169.85139 816.896524 210.411254 47.46271635 133.0786632 215.8315657 336.5536342 120.0317824 116.4270876 73.84625534 446.4584235 59.95531468 73.64131782 79.13291432 56.2766557 633.6792203 109.8206198 65.7991605 121.5225928 83.25818582 76.9859389 472.8956954 449.876172 49.09399243 185.2269932 162.2586673 208.2122898 335.6309518 118.714452 43.36411307 53.43214371 61.45622572 387.7232104 148.9311067 53.46379956 69.94500448 149.2140575 630.2413137 54.86125362 115.0125154 55.54614975 991.1566017 112.0813061 59.04559724 fumarate 46.01472507 82.75455216 137.1786795 115.6512546 14.56690063 42.47102481 53.77555149 71.81535496 31.94094303 33.38377563 32.14312469 30.57220469 110.5186294 45.89294294 26.488803 43.36205758 42.9964825 78.95301111 59.37091254 32.46274192 36.94782748 89.76426518 63.69484549 120.9231285 54.09790513 31.72695041 28.85968158 98.30076098 42.91751583 25.16489842 23.72719725 25.72271678 54.55995287 47.65717332 31.94273126 28.37368755 25.8232802 27.78217934 55.87025297 57.74435719 33.19309457 46.4711104 83.00614777 75.97153988 147.2397945 122.0140048 30.25320285 29.18497687 34.56830718 70.59119701 39.58994883 38.91443007 38.53801231 51.40698165 49.02496791 41.43381954 41.31491561 60.42787151 86.80702053 39.80217552 48.89480272 gamma-aminobutyrate 107.0610896 139.6501464 101.2710545 272.0049003 115.25966 264.3643669 318.9438336 64.31985631 290.2220429 289.1195121 141.2111794 283.2377597 207.7965141 397.6538736 257.4468509 255.8096155 243.2552944 415.2141956 175.0049657 261.36609 343.8267809 127.8544854 202.9239967 135.8096931 112.5788413 276.8288114 206.1621712 139.2784458 155.3610972 166.2717473 286.6275977 356.9293538 204.9381682 334.3673093 292.0713466 346.4188973 224.7587953 269.2809655 231.5801305 303.1372192 356.6955823 542.4996506 154.6110055 568.7157488 71.64606046 282.5936566 123.2414077 270.097808 278.3017767 78.41129933 388.5947429 288.7527614 304.3097758 403.9533119 131.1251984 430.1504126 289.1617559 100.1876363 302.1137817 220.9515346 554.6726261 disaccharide_21.9 321.0339015 573.0377001 498.8353649 608.6804723 209.8295813 521.5062874 528.9108748 188.7390953 451.9506336 403.3378285 306.9263529 439.896419 507.5925632 372.1200315 570.9526203 447.2852027 370.4606693 465.8275147 308.2818582 450.9559969 477.2224039 546.8184405 557.3892144 585.3335084 359.9352426 547.2852245 414.8804657 360.3799311 236.3506944 325.0892624 469.2540428 489.2349112 385.7194641 259.0242792 302.9689112 550.2814621 356.4857093 488.4581646 368.5455643 402.0919484 428.7039932 646.0746594 741.8863209 1237.802754 647.7655161 533.6960205 403.2102574 539.8083407 389.6265979 517.6594027 533.8555862 461.9061976 468.7060506 477.6898858 540.0886215 513.3792285 670.6699146 314.9509245 704.0074169 392.3976479 673.6718692 hexose-P 59.55824459 62.44878309 95.77514094 100.7453248 42.87371369 89.65672617 102.856481 74.20153467 114.836888 89.80643083 62.79336357 80.3764909 134.530219 121.9898149 112.4800434 92.87974966 90.70758104 109.8836247 98.39889295 124.9661486 120.1148684 72.05877758 81.20727962 84.93075569 80.22035716 87.59774242 76.43700056 98.21901382 62.81235881 75.04811087 74.02783561 74.52899151 88.01884701 84.2100414 66.6371431 73.4359997 58.95119786 62.45755111 93.93673993 99.63560526 92.8227535 93.03956932 90.27450611 197.9248429 94.79652244 78.41252125 56.5306739 87.33150638 84.99773186 116.4156796 104.8141076 84.83946792 76.74266146 81.37264083 100.7350223 108.246684 117.9871026 52.18632667 103.1612527 90.98355528 130.9544469 gluconate 50.83924109 113.7165566 82.56843504 87.57558453 47.4527155 109.476479 89.42839746 48.76416898 104.4040827 101.9219946 106.8280619 96.43571851 90.1690905 108.5284728 96.64891571 84.21811738 105.6785889 107.9648475 79.34983328 91.3609167 94.06592158 82.13357427 93.39220063 91.1168711 81.41898359 73.3154669 70.63990559 80.84202076 67.94442553 81.42001768 75.88563209 91.9396607 76.65608629 92.15586163 94.6867123 89.50189569 77.66769176 92.015749 65.31548166 80.5956783 82.22411276 87.53238753 78.05221551 163.741517 53.22188938 64.70681859 46.9495353 71.97833436 53.72758717 57.21183468 72.05489199 94.47544628 90.03653497 92.32615743 63.37089625 93.38732098 92.25138165 44.16363632 65.12049239 60.54680089 92.14639321 glucose 5503.154624 3490.500129 5951.397196 8277.972806 4184.982472 8906.558011 5612.519253 7356.53005 1428.715603 9077.476163 4492.367832 5283.691647 13545.46678 2431.342049 6101.537584 4864.75778 4302.052076 10252.02901 10199.24236 5972.606768 1264.479067 1292.599915 4360.995778 5135.869057 2859.83037 4025.106931 3253.961375 9552.233366 1743.897468 3516.651218 3029.952565 2013.217655 8794.107937 8817.268378 5391.203612 4561.426401 1970.215423 2517.846888 5902.070242 6190.508523 791.9047665 5276.038178 6098.16984 15721.03476 5158.808522 3273.117952 3062.04813 4013.034639 3059.056208 7421.774167 7886.778451 3245.532024 4996.130138 9712.597225 9624.896804 3963.710169 6618.728982 3338.683239 13331.37892 4565.138034 2137.78186 glutamate 442.097809 842.1071873 1743.57059 1148.734128 238.0637812 679.8478951 802.6988462 872.721377 1161.312409 457.5576241 444.4778176 775.8689594 1592.771211 996.3544414 931.5054212 570.0167336 614.3875885 1117.001995 1040.592133 1171.382269 1616.123478 724.8921612 748.956584 1551.452368 1138.607779 726.6254548 597.771575 1125.964388 619.9674716 1173.629618 579.7420599 542.8553927 1005.102993 738.2160418 713.6021236 975.3344561 488.8196615 621.9118899 889.4565515 1007.075564 1225.010254 1007.554606 721.3643947 1012.904371 1297.172737 1481.930597 391.7154924 491.661813 521.9677871 1130.096307 1321.982202 369.47464 536.5619374 480.3381075 939.0491539 1328.784683 881.8026858 328.2366739 1120.953212 1370.493753 1344.662252 glutamine 1513.40105 2271.878881 4314.792362 3171.387372 618.9288688 1447.492889 1191.378582 909.462124 2144.114147 1053.627665 944.4825532 1533.559065 2715.829944 1649.565126 1860.974488 1519.501127 1434.411382 2043.043373 1271.579478 2648.501284 2646.869448 2350.67296 2587.717801 4237.444758 2800.59253 1473.557778 1742.42212 1816.597479 1055.162682 2048.168198 1030.179198 947.9114588 1708.759794 1502.826526 1489.808937 1830.213399 1265.609831 2121.13685 1716.427226 1888.723939 2682.059303 2882.247702 2624.991958 2511.633761 2068.408589 2629.121817 671.4981492 909.5961638 838.0215563 1547.086853 2279.834644 676.8286619 986.4679217 599.2354835 1388.616029 2366.790593 2346.146805 890.1267088 2446.772454 2060.551379 2869.105633 glycerate 56.48774735 100.5036182 325.5266778 74.7378067 20.39964638 34.1712872 39.43872884 55.51807151 15.60694351 36.81588926 18.15208621 20.05783687 84.17879358 18.29076527 37.67969928 25.06937907 13.43173176 30.52290514 30.81707031 23.91454726 18.65047404 84.63074255 54.33331799 197.8600611 22.82467405 15.34827105 13.96024354 63.06088632 10.61748341 14.38338636 12.81634686 10.37369298 31.59206046 27.29503527 15.03931895 30.8698887 29.40128369 13.26949566 31.27171415 27.21341019 13.51908709 21.14568083 35.88578453 53.6021309 81.86913335 47.96836391 15.56794828 13.26401944 22.84636177 56.50568001 25.89537919 17.43782926 16.98497431 44.60552238 41.84411335 27.40137381 52.44878759 22.44730574 63.2927984 26.14900963 23.43670446 glycerol 732.2065242 561.3363108 1408.905056 819.1329901 298.0682143 785.7949693 1047.726347 535.4960359 549.0028328 737.9812276 518.8903187 734.0235809 628.1950441 546.6232885 395.6086377 450.0271515 462.9533895 589.759111 461.6571336 386.699122 425.1080131 632.7028209 505.6942361 420.016073 445.6093131 507.0059753 352.7697362 701.4983688 597.1565287 449.5069841 782.7933583 397.5773584 379.7844073 792.7303257 408.1879732 507.8224572 470.4907206 410.5203323 289.9403533 413.324409 296.8872365 537.2918086 706.1161523 1016.756355 703.1719807 785.8667997 710.3142472 597.8816162 662.8879704 543.5406673 667.3801345 710.7669083 685.9840225 1027.776879 562.2311149 590.7633134 437.2554029 584.4546762 827.1284646 521.9271585 488.9731832 glycine 123.7619497 173.7837873 562.97312 271.7594763 73.79464965 190.9387374 172.9535662 88.30514054 224.5676552 149.7042591 80.46080177 169.7769187 146.6209636 207.1192299 116.9381485 96.59175265 129.0304163 214.5433989 102.0565643 178.77568 174.5396813 188.6902323 212.5402063 184.3970061 160.7851239 166.8630572 131.6100787 127.5545962 281.6214166 147.9987395 174.321694 189.4431671 127.7788643 193.0994954 166.2521025 180.0673607 144.2056729 164.4821536 109.6541234 172.7519516 195.3497582 237.472806 214.4634077 324.3100804 212.8981742 290.6256155 137.975872 182.3038817 238.8054163 114.2396663 242.9079198 201.3060753 216.0904193 388.6267717 96.97437718 245.9023886 177.5739301 153.4901048 185.9336726 169.3843524 305.7012568 isoleucine 59.71644755 69.89068392 43.01004816 196.5351972 43.3209742 172.2636725 87.16916834 29.57563967 596.4895191 128.894061 87.89474455 202.697669 32.00026732 265.0340589 97.28041968 98.25041939 104.4916115 35.44013986 30.44253978 390.1345182 295.1602789 65.29905441 96.63713311 32.24786862 174.5485955 94.1591344 91.5632287 39.16924475 146.9539724 252.5179126 100.0031063 144.3720709 30.31638941 258.2266791 205.2949913 344.8661122 84.23302231 144.0647878 24.52878526 36.6888522 213.8206059 249.4532187 134.8955381 516.0605101 32.04331654 113.6429925 127.6201445 165.9696681 157.0674733 33.99246354 257.3948839 210.037455 481.4335976 386.8062939 43.78264895 337.6578082 193.7204923 77.61394067 52.685585 167.7602664 183.7109019 disaccharide_21.5 29.88354069 53.93233376 45.17756458 37.57075974 50.86013268 91.87903506 115.9043965 36.12442414 73.96892714 230.849295 124.0653615 194.1759066 111.1472476 268.9330008 176.1310331 140.6424894 163.9600822 184.7934769 195.7588114 115.8148536 127.8040647 57.15316735 64.5179947 46.48098875 29.04700209 81.44448085 82.72500262 68.4202532 46.47547851 68.67856367 121.3821341 184.6114203 144.5939097 365.6745675 166.090993 277.8641829 169.7005373 152.8770576 133.3955386 178.3397407 164.4533473 243.2138831 48.29812006 438.0441384 22.05454169 50.49214768 60.49932961 108.4364175 65.42081524 57.61528258 109.4160348 207.4045301 270.3855477 200.2186614 170.9436748 309.9511503 245.9700002 32.5814155 170.7233507 109.7427877 214.2668597 leucine 89.10333667 110.7352199 62.63254625 196.6585306 60.25628044 257.3395084 131.7677238 36.2556773 909.2296968 197.117139 130.2545843 317.1946973 41.8227219 293.0454281 142.0061713 141.1540085 158.1836691 41.07361358 32.79581599 469.7412063 397.0594147 97.97948514 150.6139798 55.20266768 221.7662804 132.7048989 135.7336872 49.63635794 162.6925883 267.805979 140.2769511 144.3827697 37.00645797 243.0542737 205.1071151 676.4411331 129.4753487 242.7751747 31.70406163 40.30331654 237.7908385 292.0335801 192.3287594 895.8028174 43.58746748 173.2487141 187.9879966 261.7551937 239.2033894 47.19880261 376.0236545 321.0693318 922.6252047 610.4045996 53.89991805 492.6783998 325.0977227 125.4329884 63.08721914 241.4112494 266.6290464 lysine 32.171031 42.82528059 18.61955232 128.6726897 33.8803953 76.96472761 52.46417669 13.24585722 243.2856695 77.24631778 44.0970656 91.53615545 22.05425364 203.159642 96.19710387 52.07568845 58.85416921 30.95353159 24.47670043 222.9275136 253.1088471 34.56241224 86.39578733 21.54492251 92.84009092 71.73986043 93.51332266 27.27024232 97.45207298 135.7637468 92.13380033 136.1438243 28.43071385 88.13750683 115.9830969 123.2892982 70.06951281 107.9736829 26.07375164 44.43695553 192.326034 162.9971967 119.9533642 503.3937763 18.13114467 140.1898457 101.7737331 191.3205959 192.169577 17.08827509 240.1607542 184.1961095 237.2453132 348.5441058 32.68022884 341.098756 282.2736448 87.10688546 32.45809681 177.6592446 365.3056418 malate 311.2596062 770.8576545 2233.118515 1006.243245 66.75496137 178.0353534 277.1368501 519.8061854 247.8481698 163.2459269 178.1664733 225.8987602 1085.984982 282.0705192 222.9179874 257.8368192 213.837769 801.9373632 596.9819699 268.9664976 370.9331475 895.1843221 548.450855 1779.030605 502.0987181 232.0962119 196.4246773 742.0435237 162.9815681 213.9625448 175.1755346 154.2576941 496.8055137 310.5322 256.8093737 260.4253135 186.9509496 178.2282534 562.7042692 585.459216 319.6595098 338.0231398 629.5177388 446.2506582 1582.980911 1063.666481 131.4542712 173.3671888 188.0053578 688.9368468 335.2036273 186.413467 204.4674676 203.1364345 601.3120451 375.2370204 310.9937361 429.7828131 903.4336265 359.0701164 476.2677941 disaccharide_20.5 86.64188773 29.42445927 67.5716011 36.99316178 19.75639285 29.20076885 47.7399004 39.10168326 185.800587 33.29019479 25.99910635 34.54424771 81.52121678 79.53900371 47.81465988 26.20059195 31.2023201 66.39851488 81.54595839 45.61765867 42.69542513 26.35494502 38.2520368 64.02753121 27.88581819 30.14646199 51.55900069 55.05731644 32.90270833 44.79274109 59.37701228 193.9540885 57.16988593 122.1228662 116.3438114 41.85844624 41.06413367 77.95328134 51.75965679 61.52842671 41.89218628 57.55137967 33.62230316 60.35246897 45.24032679 31.20625564 74.36321153 56.05484427 18.2451237 37.40172987 40.33832963 47.76585963 79.25941088 29.72965498 43.40467388 109.7794109 42.75583466 15.81088276 55.07982092 38.05295265 41.61624827 mannitol 63.23840423 146.4005489 39.89061461 23.95883688 17.05412765 43.35615937 33.20711971 140.7281028 27.12638883 50.74698172 23.18809186 26.9323138 33.9491439 223.3134383 43.38560045 29.51639245 29.44351572 33.45029233 27.05288336 82.80035274 53.7385032 23.5641746 29.93971368 127.0715934 25.29040364 22.86611454 24.62656814 20.22805468 20.02316678 135.1582625 23.2317747 36.97270979 30.3641724 670.1640934 146.1323344 38.29425782 32.54020409 32.60991794 14.43810941 17.04218682 48.44928402 62.69823698 26.59560098 28.46513319 20.30634673 54.80840185 11.6333574 65.52125248 7.730213284 16.11332879 38.18554924 18.2147214 33.52482992 15.62318419 20.13135594 174.0790937 38.22941309 13.4092969 36.0326857 26.43410733 49.39413214 disaccharide_14.98 331.6226084 216.7555662 368.1100891 525.7175571 270.9990947 593.5008866 329.9408015 472.98303 88.35909641 588.4029037 279.3742217 315.6178918 971.8114076 155.8352862 473.7249335 326.4835978 284.3454815 713.9694065 786.3792769 459.0609619 61.45803027 67.81258168 258.0839454 340.7241252 160.2382192 243.5271565 207.2443374 610.3486744 107.6006697 208.274657 173.6861776 126.1888743 718.4413867 526.4321911 362.1694766 286.3566918 119.5652324 166.0966101 437.5626632 433.4171397 49.87084115 345.7182386 367.9686343 1102.754818 285.3490178 179.2571016 179.3748786 238.7444349 157.9971486 459.7429358 499.4659336 178.2355076 315.2168056 555.2925726 690.2271646 232.2834989 483.2339134 195.5149318 895.8672277 290.0533172 138.5440464 methionine 36.64411529 40.35068212 28.89488902 90.42272774 16.32745013 64.81460405 40.56557313 17.72610531 115.2816644 43.80195153 38.05529215 64.3312757 28.11102339 143.0705424 55.76180945 40.6248676 45.17742341 36.51927961 29.53292949 171.375753 128.9080833 34.28632598 50.07739341 30.5626252 68.71406875 45.6687044 61.30031925 29.91697097 50.91436638 97.03426363 52.47433431 55.41496494 27.30985991 92.13465703 95.59858401 79.74578712 35.71577067 74.42305836 26.9705037 35.24028777 120.6067625 100.7620316 99.39809005 247.5468892 21.37440375 97.07350013 62.68046592 88.88168902 89.86475454 25.1320026 123.123801 94.55173935 125.4454619 104.9741707 36.47475895 187.4368711 144.0074939 48.2625928 45.45198712 112.5909084 164.7660423 myoinositol 479.9019257 738.9646781 607.4505665 820.6441265 319.9134223 677.3998861 775.1439152 188.6336167 609.4537641 688.077366 514.0915147 752.1525557 374.2667321 599.0216384 709.2091106 580.484681 305.7177824 434.8361349 242.0291349 526.3342628 565.3920298 912.7542524 813.1496296 548.9859611 483.8937086 794.2031315 570.6908514 366.2738766 352.9827092 461.7522972 710.7711531 650.8952078 286.664947 426.1528016 430.1945145 961.840934 585.6802208 756.9697351 294.4282827 319.7444162 102.1594648 795.0900527 856.1948548 2097.862917 428.2689853 755.5067439 579.9868782 915.9592126 777.1931055 480.5468968 743.5054908 1044.53609 944.5369315 926.9683147 471.1228793 855.2199409 960.5098775 494.0353674 627.1343069 541.3810814 872.0963584 phenylalanine 18.73415717 24.67670728 49.0547452 59.52199886 11.34868016 42.99997272 27.57096525 17.88898742 113.6805519 27.10853461 21.44140339 34.67368339 27.03217646 148.5626668 28.92181059 29.54657297 31.47173202 30.94420841 21.41454673 127.1721223 93.88419807 21.7861946 30.26896622 22.5006687 49.69058611 26.00391251 27.28586899 23.5695877 48.3781201 88.93365199 27.60218028 33.66987384 19.48729321 107.8127484 90.10195948 44.45374978 25.7663186 38.85709721 19.73653643 23.13258229 80.63751411 93.40154729 43.89014985 166.183074 20.99294577 45.36541355 50.5404008 64.88005656 57.06622604 19.13460346 78.01770476 75.44667198 86.23844524 114.8121464 24.27550606 114.0555352 77.61954546 26.84670901 30.95257544 53.28028692 94.87947408 proline 19.93561872 32.25731684 20.23386605 31.38260909 11.10333163 92.08748167 27.5063305 11.23455086 271.5173225 35.56191886 47.88681339 133.5427143 33.17896543 46.86667069 40.75841656 51.9471988 57.52464508 40.04742874 29.51728791 128.8236295 65.78075787 22.58312344 39.53232245 23.65807004 69.09638659 39.07459363 47.35768857 12.10146197 57.63869802 103.0671578 43.72981395 41.55014924 23.53695141 100.1531718 88.9982541 321.8702422 28.72747974 89.14237294 18.72509628 22.58429293 73.58222687 124.1059515 41.9540899 211.7568224 7.850165284 30.57359444 32.07554041 72.18526497 48.72413401 13.00172928 108.967663 65.01638051 396.7858066 211.1325604 33.0298742 143.5925817 85.23485616 20.39715887 39.6200188 63.90223866 62.53576535 pyruvate 26.67461298 18.4352109 26.17177556 21.98422771 13.21993191 26.48888117 27.08074499 16.18060154 19.33456752 34.53854692 15.83251786 33.69475635 23.09078385 25.95850012 22.20603089 18.72843174 15.99361082 27.57716387 22.10850027 14.85743171 13.45795982 24.73220698 20.25841542 19.64668548 10.69942371 18.30415876 15.4569508 22.46337254 13.85884901 11.23439688 42.39279077 25.95004882 18.72756716 29.48736511 16.08826753 27.22096472 25.24203128 19.4318067 15.17115602 17.47473713 12.69034104 20.11420507 22.90297563 24.08918907 21.29311432 15.1108623 16.8591678 21.89484879 15.47618877 16.64414572 17.11073356 33.41552466 33.95719329 25.35021695 25.18306231 22.04398958 18.16563528 11.44812612 35.82125177 14.00216128 15.68023558 raffinose NA 0.159835528 0.1997073 NA 1.250566624 4.109976585 0.607317154 5.495381934 3.206142661 29.46248771 18.44965642 26.00366896 30.18802548 15.23199628 10.42261154 23.23982507 24.75785732 110.2152902 111.5612611 4.179049809 3.289640325 3.635403141 0.510569176 1.652744197 NA 0.262519954 2.835845031 11.91877453 0.081001788 1.40944405 5.970994928 15.72717152 45.4464679 9.226156726 10.35841748 34.76420701 20.95480588 30.27367962 74.5536385 91.92962761 5.668323482 9.037735159 NA 101.3284009 0.267431327 NA 4.883005244 5.42084764 1.891522771 13.02665275 1.779238837 40.47696948 49.40478193 17.27590368 70.05968427 30.46632513 30.64204182 NA 100.0682477 8.093036042 10.25841662 serine 521.5958016 714.2330822 1663.268706 1629.656072 328.724885 1021.791195 715.5188339 542.6783601 1837.399463 680.6249001 926.9643947 821.3143875 945.3119519 2133.047771 791.6941823 873.6157828 923.2116594 1353.117057 804.9048287 2359.201663 1183.472213 746.9480345 714.8928407 1107.938349 2407.961037 674.8887084 645.7657912 1059.463757 2736.215374 3171.486384 911.8626541 745.8522492 1047.782757 4804.373029 3302.970639 949.0694291 659.117067 830.3067565 912.5643996 1480.309005 2335.315483 3676.158841 1218.073251 2188.544206 1015.39426 1258.33072 979.0779793 1251.864383 838.8941055 972.3236091 1610.955064 1400.988768 1578.479699 1531.539047 1461.6742 1818.403263 1332.951666 693.4484662 1242.694035 1260.613907 1769.455249 sorbitol 1046.676252 774.9028652 1341.249835 1951.828214 908.0402426 2080.866791 1165.458637 1638.718694 309.394609 1900.40064 986.2846105 1016.291539 3853.311519 325.8363412 1658.634678 1207.470502 1029.458982 2602.406195 3020.192896 1679.83235 258.9001178 230.1447185 939.613739 1282.580384 598.7356292 808.4175831 729.7475217 2235.208352 377.9403395 759.3932758 580.0928256 461.3730437 2681.567817 1102.125475 1348.707852 954.008985 388.0468914 557.1191541 1614.017595 1591.576365 68.54143887 1309.386949 1353.228119 4160.823276 1038.634309 652.4012857 634.5932288 828.1949697 633.5591346 1668.674323 1894.260214 613.2418922 1105.127055 2072.037362 2486.893963 870.9313619 1795.627453 673.611603 3352.11025 1075.685 500.428583 succinate 59.08980884 102.9225227 215.7528947 132.7353424 24.14517893 149.1101327 140.885412 96.00590072 71.98337939 59.4622522 141.768691 68.6350714 123.2429804 84.408748 33.235512 76.2594571 71.54760264 131.1831323 93.47383302 48.82047019 60.49460233 84.1606398 54.74328774 121.0738134 97.72472582 45.27406532 29.29584699 114.2491074 73.85784675 73.91204959 41.73954764 32.4050402 62.57101254 121.1729551 73.65231636 47.98155499 31.27492812 29.73685347 69.82083015 75.39161138 64.51275397 87.11064623 69.10705019 119.5631966 281.6339988 113.0706884 53.1481545 42.75306945 67.40780267 124.97871 94.21135365 61.02904344 52.32898574 97.69097605 92.78723745 86.70397077 37.40085549 59.55598987 146.5553367 56.54621167 63.96609641 sucrose 1076.889825 1573.800702 5946.438487 489.2695193 1629.187975 4932.639589 5516.87565 6363.998512 18994.58583 8698.018739 6589.859862 6707.989265 17065.03021 7880.958951 7392.417285 7819.266457 7209.060313 20460.58957 15663.88919 5486.140659 6613.680773 3062.307498 1715.975252 4302.675562 5107.991428 3612.045865 2662.382284 7628.552338 5100.371388 5806.94625 4429.383899 4504.029446 10986.41906 9416.878293 7485.397134 6110.465213 4214.668155 4689.093146 9731.887725 13123.23112 7938.059972 14043.07129 939.0527745 8389.705792 3334.389626 2348.49344 2014.095454 2420.273383 2579.461937 7581.732549 4263.256085 3825.636586 4623.388999 3468.858796 13333.43381 6975.889925 4407.405264 632.7548123 12177.00411 4857.067537 7150.902406 hexose_13.45 176.6884011 228.685074 276.452328 233.2545852 82.99606201 183.8364943 100.7340835 95.44623671 4797.319012 173.6674586 143.9989392 154.3422864 166.9310545 6539.593173 166.5876832 132.9379908 148.5606503 169.2387133 146.5186088 206.1644329 3097.34569 212.9870526 244.6035273 277.2879763 220.8243603 150.6995507 137.4225808 163.646451 124.0204609 174.149591 134.4951589 148.6588244 131.4388853 158.0411468 143.1147839 172.8125025 123.4040517 151.0834596 130.6380569 138.9530039 172.5945403 189.6004324 209.4674233 292.8996727 186.726096 144.9754587 86.94939608 136.8790019 112.3270954 133.7246283 123.0873092 146.6386531 152.95582 190.3647329 156.229689 153.0801606 176.4841339 110.5817443 134.8377624 114.0461808 199.9210857 threonine 172.8219969 239.0437604 322.0965214 525.7024492 146.5489607 474.4828157 309.8685227 186.7640727 727.399118 350.1714367 363.437166 385.5800702 305.9613351 979.3634492 300.1854366 350.7271751 346.4824022 388.8395525 271.7089621 709.7079259 596.8633991 229.7324501 263.8681761 273.1269198 446.3299849 292.2369824 285.0051856 284.7726093 464.8833191 642.916358 385.2416059 376.6928637 256.4991834 864.0066041 724.1096574 429.4265158 262.8597732 353.1865207 226.5329974 312.1824957 628.8079 801.4499829 398.2859853 989.9734635 227.5764374 398.8103801 347.9299187 520.7882502 398.7205093 267.6030291 624.0208126 648.2119389 707.0235248 662.777597 354.4285612 768.5774999 527.8134059 233.0109816 411.5863831 477.7059192 732.7080553 disaccharide_14.35 NA 3.411258639 5.014402807 6.987031982 NA 10.34119966 6.410811159 6.326052877 68.23522687 NA 7.654983497 NA 11.77378228 83.86518476 NA 2.483951531 1.198245744 11.19137372 8.183952505 8.178581955 30.32019185 NA NA 11.31642785 0.618739946 NA NA 9.322380745 4.219794309 7.922439818 NA NA 6.62385515 8.078309698 7.761816501 NA NA NA 6.1597487 8.955465942 1.997059584 9.588082325 4.104508544 14.66407616 71.30297758 3.477374021 5.9896926 5.972914541 6.846485833 32.71381868 8.968130396 11.59955164 7.135832766 12.07435625 9.575350859 3.083719687 1.881558048 6.083609235 9.822186504 2.929055488 2.451139392 disaccharide_15.98 4.202336986 248.2874939 310.3969774 6.746272494 7.114108438 57.14973984 78.4713873 58.21332889 140.2570134 20.19139668 145.4414699 156.0740539 100.6728465 231.5617003 47.0479025 232.6076533 326.0239962 301.383641 8.959927174 16.98957563 136.4542381 398.6922304 199.2694479 131.4319112 208.5813835 292.510862 247.2764862 80.13821277 261.6737719 176.8571227 344.212127 476.9289585 17.60304595 5.525292546 158.5865348 375.3355588 280.7592721 425.2057788 174.7988606 311.2754347 661.8646388 409.346754 83.95303928 119.8549391 20.09338404 173.736641 186.7861014 364.5373075 221.9006711 3.585076138 19.01261369 526.0237194 480.6927879 49.41547116 1.81693472 495.06523 125.1533698 36.68136503 16.69422264 50.68633361 618.1748876 valine 273.829221 268.7948564 201.6561019 722.9006494 191.6557435 473.2044551 446.1568047 127.9173844 1019.570965 617.7999686 318.5089372 607.7732126 159.1174932 1024.757098 369.0328126 331.3571698 300.8087824 193.2506137 162.1385843 1056.667659 787.9068072 285.2017509 351.9116521 162.1431607 446.0526906 362.0343216 308.4036986 205.3492985 416.6462029 666.6244091 404.078388 367.5116068 162.8667025 1033.096628 656.1163451 600.1913203 341.3459736 445.5318383 152.0278237 201.2322594 602.736575 930.8561325 475.0109508 1533.853108 213.0502632 477.2347767 475.3952742 545.1235792 822.7062544 227.040623 751.1159358 811.2673235 894.1217782 732.2110247 270.8619379 1174.113681 662.4310593 328.7933162 342.2266198 645.6551789 921.0403247 sterol_stigmastanes 163.9398911 409.6800452 352.282516 460.8460225 179.8745719 670.9679778 479.9995851 195.2873794 524.3592135 411.6224661 390.949978 436.8211411 567.3512615 623.7417915 457.5425922 558.272986 452.8658053 616.97739 483.863053 546.8521728 493.3142695 318.757587 410.2419705 408.9003634 370.1536785 464.0895898 379.9406214 421.1041952 349.5197795 473.686572 495.9643485 490.2623142 517.1119854 628.2497231 642.6559255 611.4845976 358.8709733 482.4477176 503.8546664 561.5579932 533.2939679 1018.639646 392.6348194 1349.039772 257.1235056 429.4540332 371.8983722 505.4968224 412.2766139 333.2662977 670.2451199 481.2738622 573.3461792 539.9179265 516.1010504 660.7381092 595.8329416 229.3552984 693.21229 435.8984388 651.1129347 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name sub class (HMDB) m/z fragement retention time sterol_stigmastanes Stigmastanes and derivatives 396 23.74 5-oxo-proline Carbohydrates and carbohydrate conjugates 156.1 11.172 alanine Amino acids, peptides, and analogues 116.09 6.618 asparagine Amino acids, peptides, and analogues 116.085 12.579 aspartate Amino acids, peptides, and analogues 232.119 11.155 sterol_ergostane Ergostane steroids 382 23.16 (iso)-citrate Tricarboxylic acids and derivatives 273.098 13.925 DMPA (ISTD) ISTD 148 11.668 fructose Carbohydrates and carbohydrate conjugates 307 14.444 fumarate Dicarboxylic acids and derivatives 245.067 9.28 gamma-aminobutyrate Amino acids, peptides, and analogues 304.1 11.233 disaccharide_21.9 Carbohydrates and carbohydrate conjugates 204 21.9 hexose-P Carbohydrates and carbohydrate conjugates 387 17.8 gluconate Carbohydrates and carbohydrate conjugates 333.138 15.42 glucose Carbohydrates and carbohydrate conjugates 205.108 14.663 glutamate Amino acids, peptides, and analogues 246.135 12.09 glutamine Amino acids, peptides, and analogues 156.1 13.45 glycerate Carbohydrates and carbohydrate conjugates 189.077 9.189 glycerol Carbohydrates and carbohydrate conjugates 205.108 8.561 glycine Amino acids, peptides, and analogues 174.113 8.926 isoleucine Amino acids, peptides, and analogues 158.137 8.774 disaccharide_21.5 Carbohydrates and carbohydrate conjugates 204 21.5 leucine Amino acids, peptides, and analogues 158.137 8.527 lysine Amino acids, peptides, and analogues 174.113 14.714 malate Dicarboxylic acids and derivatives 233.103 10.835 disaccharide_20.5 Carbohydrates and carbohydrate conjugates 361.169 20.515 mannitol monosaccharide 205.108 14.927 disaccharide_14.98 Carbohydrates and carbohydrate conjugates 217 14.98 methionine Amino acids, peptides, and analogues 176.093 11.135 myoinositol monosaccharide 305.1425 16.158 phenylalanine Amino acids, peptides, and analogues 192.12 12.181 proline Amino acids, peptides, and analogues 142.1 8.818 pyruvate Alpha-keto acids and derivatives 174.0586 6.025 raffinose Carbohydrates and carbohydrate conjugates 437.203 24.574 serine Amino acids, peptides, and analogues 204.124 9.509 sorbitol monosaccharide 319.158 14.991 succinate Dicarboxylic acids and derivatives 247.082 8.939 sucrose Carbohydrates and carbohydrate conjugates 361.169 19.886 hexose_13.45 Carbohydrates and carbohydrate conjugates 217 13.45 threonine Amino acids, peptides, and analogues 219.11 9.806 disaccharide_14.35 Carbohydrates and carbohydrate conjugates 361 14.354 disaccharide_15.98 Carbohydrates and carbohydrate conjugates 361 15.98 valine Amino acids, peptides, and analogues 144.121 7.91 METABOLITES_END #END