#METABOLOMICS WORKBENCH shawn_christensen_20200803_201125 DATATRACK_ID:2110 STUDY_ID:ST001489 ANALYSIS_ID:AN002466 PROJECT_ID:PR001006 VERSION 1 CREATED_ON September 22, 2020, 10:04 am #PROJECT PR:PROJECT_TITLE Metabolomics by UHPLC-HRMS reveals the impact of heat stress on PR:PROJECT_TITLE pathogen-elicited immunity in maize PR:PROJECT_SUMMARY Studies investigating crop resistance to biotic and abiotic stress have largely PR:PROJECT_SUMMARY focused on plant responses to singular forms of stress and individual PR:PROJECT_SUMMARY biochemical pathways that only partially represent stress responses. Thus, PR:PROJECT_SUMMARY combined biotic and abiotic stress treatments and the global assessment of their PR:PROJECT_SUMMARY elicited metabolic expression remains largely unexplored. In this study, we PR:PROJECT_SUMMARY employed targeted and untargeted metabolomics to investigate the metabolic PR:PROJECT_SUMMARY responses of maize (Zea mays) to both individual and combinatorial stress PR:PROJECT_SUMMARY treatments using heat (abiotic) and Cochliobolus heterostrophus infection PR:PROJECT_SUMMARY (biotic) experiments. Ultra-high-performance liquid PR:PROJECT_SUMMARY chromatography-high-resolution mass spectrometry revealed significant metabolic PR:PROJECT_SUMMARY responses to C. heterostrophus infection and heat stress, and comparative PR:PROJECT_SUMMARY analyses between these individual forms of stress demonstrated differential PR:PROJECT_SUMMARY elicitation between the two global metabolomes. In combinatorial experiments, PR:PROJECT_SUMMARY treatment with heat stress prior to fungal inoculation negatively impacted maize PR:PROJECT_SUMMARY disease resistance against C. heterostrophus, and distinct metabolome separation PR:PROJECT_SUMMARY between combinatorial stressed plants and the non-heat stressed infected PR:PROJECT_SUMMARY controls was observed. Targeted analysis revealed inducible primary and PR:PROJECT_SUMMARY secondary metabolite responses to biotic/abiotic stress, and combinatorial PR:PROJECT_SUMMARY experiments indicated that deficiency in the hydroxycinnamic acid, p-coumaric PR:PROJECT_SUMMARY acid, may lead to the heat-induced susceptibility of maize to C. heterostrophus. PR:PROJECT_SUMMARY Collectively, these findings demonstrate that abiotic stress can predispose PR:PROJECT_SUMMARY crops to more severe disease symptoms, underlining the increasing need to PR:PROJECT_SUMMARY investigate defense chemistry in plants under combinatorial stress. PR:INSTITUTE Agricultural Research Service, United States Department of Agriculture PR:LAST_NAME Christensen PR:FIRST_NAME Shawn PR:ADDRESS 1600 SW 23rd Drive Gainesville, FL 32608, Gainesville, Florida, 32607, USA PR:EMAIL shawn.christensen@usda.gov PR:PHONE 3523745739 #STUDY ST:STUDY_TITLE Metabolomics by UHPLC-HRMS reveals the impact of heat stress on ST:STUDY_TITLE pathogen-elicited immunity in maize ST:STUDY_SUMMARY Studies investigating crop resistance to biotic and abiotic stress have largely ST:STUDY_SUMMARY focused on plant responses to singular forms of stress and individual ST:STUDY_SUMMARY biochemical pathways that only partially represent stress responses. Thus, ST:STUDY_SUMMARY combined biotic and abiotic stress treatments and the global assessment of their ST:STUDY_SUMMARY elicited metabolic expression remains largely unexplored. In this study, we ST:STUDY_SUMMARY employed targeted and untargeted metabolomics to investigate the metabolic ST:STUDY_SUMMARY responses of maize (Zea mays) to both individual and combinatorial stress ST:STUDY_SUMMARY treatments using heat (abiotic) and Cochliobolus heterostrophus infection ST:STUDY_SUMMARY (biotic) experiments. Ultra-high-performance liquid ST:STUDY_SUMMARY chromatography-high-resolution mass spectrometry revealed significant metabolic ST:STUDY_SUMMARY responses to C. heterostrophus infection and heat stress, and comparative ST:STUDY_SUMMARY analyses between these individual forms of stress demonstrated differential ST:STUDY_SUMMARY elicitation between the two global metabolomes. In combinatorial experiments, ST:STUDY_SUMMARY treatment with heat stress prior to fungal inoculation negatively impacted maize ST:STUDY_SUMMARY disease resistance against C. heterostrophus, and distinct metabolome separation ST:STUDY_SUMMARY between combinatorial stressed plants and the non-heat stressed infected ST:STUDY_SUMMARY controls was observed. Targeted analysis revealed inducible primary and ST:STUDY_SUMMARY secondary metabolite responses to biotic/abiotic stress, and combinatorial ST:STUDY_SUMMARY experiments indicated that deficiency in the hydroxycinnamic acid, p-coumaric ST:STUDY_SUMMARY acid, may lead to the heat-induced susceptibility of maize to C. heterostrophus. ST:STUDY_SUMMARY Collectively, these findings demonstrate that abiotic stress can predispose ST:STUDY_SUMMARY crops to more severe disease symptoms, underlining the increasing need to ST:STUDY_SUMMARY investigate defense chemistry in plants under combinatorial stress. ST:INSTITUTE Agricultural Research Service, United States Department of Agriculture ST:DEPARTMENT Center of Medical, Agricultural, and Veterinary Entomology ST:LABORATORY Chemistry Research Unit ST:LAST_NAME Christensen ST:FIRST_NAME Shawn ST:ADDRESS 1600 SW 23rd Drive Gainesville, FL 32608 ST:EMAIL shawn.christensen@usda.gov ST:PHONE 3523745739 #SUBJECT SU:SUBJECT_TYPE Plant SU:SUBJECT_SPECIES Zea mays SU:TAXONOMY_ID 4577 #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 - 1_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=01_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 2_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=02_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 3_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=03_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 4_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=04_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 5_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=05_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 6_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=06_SLB_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 7_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=07_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 8_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=08_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 9_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=09_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 10_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=10_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 11_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=11_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 12_ Sample Type:Control | Age:14 day | Growth Temperature:28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 28°C under watered conditions; RAW_FILE_NAME=12_Tween_28_3d_H2O SUBJECT_SAMPLE_FACTORS - 25_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=25_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 26_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=26_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 27_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=27_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 28_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=28_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 29_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=29_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 30_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=30_SLB_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 31_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=31_Tween_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 32_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=32_Tween_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 33_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=33_Tween_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 34_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 28°C; RAW_FILE_NAME=34_Tween_38_3d_H2O SUBJECT_SAMPLE_FACTORS - 49_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=49_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 50_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=50_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 51_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=51_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 52_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=52_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 53_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=53_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 54_ Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Description=3d post SLB (C. heterostrophus) inoculation on 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=54_SLB_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 55_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=55_Tween_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 56_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=56_Tween_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 57_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=57_Tween_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 58_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=58_Tween_38_6d_H2O SUBJECT_SAMPLE_FACTORS - 59_ Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Description=Tween 20 control treated 3rd leaf, 14d old plant grown at 38°C under watered conditions, then returned to 38°C; RAW_FILE_NAME=59_Tween_38_6d_H2O #COLLECTION CO:COLLECTION_SUMMARY Samples were collected and flash frozen in liquid N2 CO:SAMPLE_TYPE Plant #TREATMENT TR:TREATMENT_SUMMARY For inoculations, single isolates of Cochliobolus heterostrophus were cultured TR:TREATMENT_SUMMARY on V8 agar for 3-4 weeks as described by (Christensen et al., 2018). Spot TR:TREATMENT_SUMMARY inoculations were performed on 14-d-old plants in which four 10 μl droplets of TR:TREATMENT_SUMMARY either C. heterostrophus suspension (1x106 spores mL-1) or control solution TR:TREATMENT_SUMMARY (sterile 0.1% Tween 20) were applied in a staggered fashion (Fig. 2a and Fig. TR:TREATMENT_SUMMARY 4a) onto the middle portion of the third leaf about 10cm from the distal tip. TR:TREATMENT_SUMMARY Following inoculation, both heat-stressed and non-heat-stressed plants were TR:TREATMENT_SUMMARY placed in a plastic humidity chamber and placed in the 28°C Percival. At 24 TR:TREATMENT_SUMMARY hours post-inoculation, infected and non-infected controls were removed from the TR:TREATMENT_SUMMARY humidity chambers and maintained at 28°C for the remainder of the experiment. TR:TREATMENT_SUMMARY At 72 hours post-inoculation, leaves (n=6) were photographed and immediately TR:TREATMENT_SUMMARY harvested into liquid N2. Lesions were digitally measured using ImageJ software TR:TREATMENT_SUMMARY (ImageJ 1.36b; Wayne Rasband, NIH, Bethesda, MD, USA). #SAMPLEPREP SP:SAMPLEPREP_SUMMARY LCMS grade reagents (Thermo Fisher Scientific) were used throughout the SP:SAMPLEPREP_SUMMARY extraction. Frozen 1.5-mL fast prep tubes with Zirmil® beads (1.1mm; SEPR SP:SAMPLEPREP_SUMMARY Ceramic Beads and Powders, Mountainside, NJ, USA) containing 50 mg of ground and SP:SAMPLEPREP_SUMMARY frozen tissue were carefully thawed to 4°C then transferred to ice. An internal SP:SAMPLEPREP_SUMMARY standard mix of 12 μL containing caffeine, D6-Abscisic acid, D5-Jasmonic acid, SP:SAMPLEPREP_SUMMARY D5-Cinnamic acid, D5-Indole-3-acetic acid, 13C-alpha linolenic acid, and SP:SAMPLEPREP_SUMMARY nicotine at 8.33 μg/mL was added to each sample along with 750 μL of 10 mM of SP:SAMPLEPREP_SUMMARY ammonium acetate and 750 μL of methanol (MeOH). Samples were mixed by vortex SP:SAMPLEPREP_SUMMARY then homogenized at 6000 RPM for 30 seconds in a FastPrep® FP 120 tissue SP:SAMPLEPREP_SUMMARY homogenizer (Qbiogene) and then sonicated in an ambient water bath for 15 min. SP:SAMPLEPREP_SUMMARY Samples were centrifuged for 10 minutes at 20,000 RCF at ambient temperature, SP:SAMPLEPREP_SUMMARY then 1 mL of supernatant was transferred to individual 4 mL glass vials. The SP:SAMPLEPREP_SUMMARY supernatant was dried under a nitrogen stream at 30°C, reconstituted in 200 μL SP:SAMPLEPREP_SUMMARY of 0.1% formic acid in water, and vortexed for 30 seconds. Vial contents were SP:SAMPLEPREP_SUMMARY transferred to a 1.5-mL snap-cap tube, placed on ice for 10 minutes, then SP:SAMPLEPREP_SUMMARY centrifuged at 20,000 RCF for 10 minutes at ambient temperature. 150 μL of SP:SAMPLEPREP_SUMMARY supernatant was transferred to glass LC vials for UHPLC-HRMS analysis. #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Thermo Vanquish CH:COLUMN_NAME ACE Excel 2 C18-PFP (100 x 2.1mm, 2um) #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME Thermo Q Exactive Orbitrap MS:INSTRUMENT_TYPE Orbitrap MS:MS_TYPE ESI MS:ION_MODE POSITIVE MS:MS_COMMENTS The raw acquisition data were processed using a similar workflow described in MS:MS_COMMENTS previous work (Chamberlain et al., 2019a, b), which we detail here. Raw data MS:MS_COMMENTS files were converted from .raw to .mzxml format using RawConverter (He et al., MS:MS_COMMENTS 2015). MZmine 2 was used for processing the raw data including detecting masses, MS:MS_COMMENTS building chromatograms, grouping isotopic peaks, removing duplicate peaks, and MS:MS_COMMENTS aligning features (Pluskal et al., 2010). Identification was assigned to MS:MS_COMMENTS features by m/z (≤5 ppm) and retention time (0.2 min) (level 1 – MS:MS_COMMENTS identified compounds according to Metabolomics Standards Initiative standards MS:MS_COMMENTS (Sumner et al., 2007)) matching tousing our method-specific metabolite library MS:MS_COMMENTS produced from pure standards previously analyzed using this the above-mentioned MS:MS_COMMENTS chromatographic gradient. Processed data were exported from MZmine as a feature MS:MS_COMMENTS list containing the signal intensity for each feature in each sample. A small MS:MS_COMMENTS value (half the minimum value in the dataset) was used to replace zeros (no MS:MS_COMMENTS detection). The data were filtered to remove sample features with 10% signal MS:MS_COMMENTS contribution from their corresponding features in the extraction blanks. From MS:MS_COMMENTS this point, the data were further processed, normalized, and filtered using MS:MS_COMMENTS MetaboAnalyst 4.0 (Chong et al., 2018). For whole-metabolome comparative MS:MS_COMMENTS analyses, the data were normalized to total ion signal and feature intensities MS:MS_COMMENTS were auto-scaled to facilitate statistical comparisons (van den Berg et al., MS:MS_COMMENTS 2006). Statistical significance, defined as p 0.05, was determined using the MS:MS_COMMENTS two-tailed student’s t-test, and values for significance were adjusted for the MS:MS_COMMENTS false discovery rate with the Bonferroni-Holm method (HOLM, 1979). #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS peak intensity MS_METABOLITE_DATA_START Samples 1_ 2_ 3_ 4_ 5_ 6_ 7_ 8_ 9_ 10_ 11_ 12_ 25_ 26_ 27_ 28_ 29_ 30_ 31_ 32_ 33_ 34_ 49_ 50_ 51_ 52_ 53_ 54_ 55_ 56_ 57_ 58_ 59_ Factors Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:Control | Age:14 day | Growth Temperature:28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 28 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:SLB inoculation | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 Sample Type:Control | Age:14 day | Growth Temperature:38 returned to 38 13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid 1200247.90 376190.00 1238029.58 1448129.86 2304235.38 974671.97 1550530.03 2669760.84 811500.67 1112633.70 1453320.74 976513.78 1718809.00 1000688.23 2351852.70 1200643.49 2195002.51 947859.73 488231.96 1586641.43 1260352.71 2675423.06 928226.62 251856.21 181750.58 1432073.35 309005.06 4655.53 571257.70 248861.17 210888.60 483869.34 311497.82 12-oxo-11-phytodienoicacid 3361609.53 6102250.56 4941510.92 5964502.67 8171316.13 14900000.00 6574514.05 3870355.40 8661627.61 2219085.35 3811933.31 5334547.55 8162542.62 6523152.17 9477296.77 3165176.14 10200000.00 4826335.45 3540951.56 5536672.32 5601064.35 8463384.46 7805325.37 4546956.42 5330950.97 5828934.45 4677721.02 15934.58 2528156.17 3472721.83 2861135.04 2549092.80 2450836.44 13-oxo-9Z,11E-octadecadienoic acid 12700000.00 5651647.26 10400000.00 13700000.00 35100000.00 6844245.44 18900000.00 12900000.00 11900000.00 10000000.00 12300000.00 13700000.00 33900000.00 44700000.00 107000000.00 30800000.00 74100000.00 19900000.00 38400000.00 57600000.00 33100000.00 66700000.00 55600000.00 9446780.64 9034808.81 25400000.00 8847795.31 226428.39 9012030.48 10000000.00 5943972.98 21300000.00 25700000.00 2-Benzoxazolinone 782071.09 4710432.29 4152580.05 10600000.00 5439246.79 26200000.00 441188.12 1487913.61 21100000.00 926393.56 925854.96 4943266.65 19900000.00 17300000.00 24400000.00 9252324.84 11600000.00 34300000.00 6502124.08 9908411.67 3631332.66 6625756.58 21600000.00 569291.90 4645847.28 12400000.00 3385086.54 150810.02 3596026.30 9986229.90 7197606.69 12300000.00 7775452.72 3-Phosphoglyceric acid 1096892.65 302062.03 3127233.84 9274283.65 374196.70 1513821.81 12000000.00 14700000.00 4287870.50 8792925.53 7037082.19 9707712.18 2577359.05 12900000.00 583537.28 665019.93 1527633.12 1672047.42 14700000.00 13300000.00 29300000.00 15400000.00 1886082.28 1172434.31 952723.65 3512038.05 679789.09 1338344.22 3449453.02 8291281.62 6220103.68 163734.44 8448116.16 Abscisic Acid 662598.51 896808.99 115243.32 217659.18 642746.72 1493373.27 44442.30 158156.78 378389.88 35580.47 31981.11 100498.48 2175888.19 250472.48 871916.02 886448.39 1716495.65 972663.36 16846.26 37078.44 65931.74 93482.09 237140.96 211103.46 282959.13 1021664.72 316427.24 3214.13 312523.39 470444.72 31939.31 334707.52 184177.12 Adenosine Monophosphate 472662.67 2075969.58 4988416.72 15700000.00 25500000.00 43500000.00 35600000.00 18600000.00 57400000.00 7621742.44 31800000.00 79600000.00 24300000.00 25300000.00 8572753.43 863461.36 11100000.00 3309890.41 5641039.10 5066565.83 4096449.90 13400000.00 33300000.00 8589112.40 4001875.13 7397398.35 1782494.93 11957.40 1540965.22 421296.14 495739.71 1424597.81 1975519.19 Alanine 559000000.00 726000000.00 915000000.00 1220000000.00 1310000000.00 1800000000.00 1120000000.00 771000000.00 2420000000.00 1060000000.00 1030000000.00 1490000000.00 2340000000.00 1030000000.00 1180000000.00 945000000.00 990000000.00 901000000.00 1060000000.00 694000000.00 543000000.00 1150000000.00 979000000.00 552000000.00 647000000.00 938000000.00 487000000.00 30900000.00 1250000000.00 1310000000.00 775000000.00 1690000000.00 561000000.00 Alpha-Ketoglutaric acid 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 497.41 11499.07 497.41 497.41 497.41 497.41 497.41 497.41 84702.42 497.41 497.41 10905.07 497.41 497.41 Anthranilic acid 36600000.00 120000000.00 64200000.00 85300000.00 75800000.00 227000000.00 15800000.00 22500000.00 81800000.00 16200000.00 16900000.00 32700000.00 69500000.00 33100000.00 80200000.00 27400000.00 92100000.00 76500000.00 13300000.00 14700000.00 10100000.00 14200000.00 57200000.00 28100000.00 195000000.00 198000000.00 187000000.00 2152291.34 34400000.00 122000000.00 61100000.00 59000000.00 45900000.00 Arginine 43800000.00 20500000.00 32600000.00 26100000.00 27100000.00 25100000.00 599373.67 784973.38 1657606.24 531308.68 2570825.50 1380609.56 35200000.00 6185136.28 30800000.00 39300000.00 31600000.00 64400000.00 592856.69 602539.24 218494.62 431048.87 5468090.48 8649606.51 20100000.00 17700000.00 24700000.00 483406.73 3454663.86 1582615.04 899332.73 2960656.14 1542463.11 Asparagine 73700000.00 205000000.00 192000000.00 917000000.00 151000000.00 405000000.00 52700000.00 27400000.00 409000000.00 28700000.00 27300000.00 306000000.00 2740000000.00 2030000000.00 262000000.00 231000000.00 112000000.00 440000000.00 132000000.00 148000000.00 967000000.00 523000000.00 1820000000.00 486000000.00 1860000000.00 630000000.00 824000000.00 393000000.00 2190000000.00 3200000000.00 3870000000.00 3490000000.00 139000000.00 Aspartic acid 77600000.00 120000000.00 74600000.00 104000000.00 103000000.00 66800000.00 134000000.00 108000000.00 67700000.00 115000000.00 91500000.00 181000000.00 95900000.00 118000000.00 111000000.00 117000000.00 111000000.00 62600000.00 113000000.00 154000000.00 278000000.00 305000000.00 138000000.00 145000000.00 151000000.00 190000000.00 238000000.00 26600000.00 235000000.00 268000000.00 253000000.00 286000000.00 237000000.00 Benzothiazole 3451647.88 6288246.32 8142275.39 3510892.73 8123672.71 10800000.00 23800000.00 16500000.00 67000000.00 12300000.00 29700000.00 13900000.00 19600000.00 31900000.00 21300000.00 19700000.00 36800000.00 15000000.00 16200000.00 26800000.00 32800000.00 21800000.00 53800000.00 21900000.00 13200000.00 30300000.00 4518146.36 4246052.83 19400000.00 17900000.00 8203912.73 27400000.00 18700000.00 Chlorogenic Acid 74091.22 465001.99 2087022.95 577040.63 27000000.00 27500000.00 35575.81 199446.00 837711.48 181194.43 200978.05 500621.44 11400000.00 41000000.00 50700000.00 47600000.00 161000000.00 11800000.00 28245.01 143249.54 23108.80 14528.10 48600000.00 4798104.91 2588697.36 47900000.00 2031009.72 14142.17 997082.36 2533194.12 14983.36 2001968.67 118413.16 Cis-Aconitic acid 4331656.38 4385322.38 2809617.84 2961587.28 8145802.83 16200000.00 2614521.85 2253388.29 10300000.00 2895837.13 2825956.11 3872405.70 8971397.06 2937475.93 6368759.68 4944917.18 11200000.00 15100000.00 3356379.21 2711305.32 1128295.64 3443762.25 10800000.00 4148032.34 5002456.93 8545759.36 4534188.52 15704.79 4308595.13 1556503.93 1517568.57 5963270.33 5536464.24 Ferulic Acid 123000000.00 183000000.00 79900000.00 68400000.00 106000000.00 117000000.00 34400000.00 15200000.00 126000000.00 13700000.00 14900000.00 26800000.00 76200000.00 44600000.00 71100000.00 45800000.00 109000000.00 67600000.00 18600000.00 21300000.00 7080040.80 25900000.00 94100000.00 34000000.00 109000000.00 212000000.00 91200000.00 1987179.00 28200000.00 30100000.00 14700000.00 42400000.00 32000000.00 Fructose-6-phosphate 8139021.77 13200000.00 18100000.00 22400000.00 5026286.12 1470544.82 11600000.00 14600000.00 1781000.53 9150986.20 7669565.15 7733899.76 8859961.12 25000000.00 17100000.00 15800000.00 10300000.00 4414048.51 16200000.00 20700000.00 36300000.00 13600000.00 4152482.67 30800000.00 18200000.00 16200000.00 16500000.00 9311915.45 15000000.00 25200000.00 15500000.00 16500000.00 24700000.00 Glucosamine 382000000.00 323000000.00 189000000.00 142000000.00 268000000.00 556000000.00 107000000.00 89600000.00 253000000.00 82200000.00 96800000.00 137000000.00 319000000.00 254000000.00 333000000.00 336000000.00 340000000.00 418000000.00 114000000.00 114000000.00 87200000.00 124000000.00 329000000.00 304000000.00 159000000.00 582000000.00 279000000.00 10300000.00 119000000.00 159000000.00 75000000.00 179000000.00 218000000.00 Glutamic acid 6350000000.00 7090000000.00 5050000000.00 5520000000.00 10400000000.00 11200000000.00 7490000000.00 5700000000.00 9600000000.00 5180000000.00 7680000000.00 9290000000.00 9210000000.00 7170000000.00 8980000000.00 6640000000.00 7020000000.00 8360000000.00 5640000000.00 3910000000.00 3540000000.00 7610000000.00 7710000000.00 5760000000.00 5260000000.00 8530000000.00 6190000000.00 162000000.00 5180000000.00 5560000000.00 4140000000.00 6690000000.00 6750000000.00 Glutamine 499000000.00 567000000.00 357000000.00 379000000.00 516000000.00 470000000.00 345000000.00 273000000.00 372000000.00 323000000.00 339000000.00 408000000.00 904000000.00 319000000.00 633000000.00 711000000.00 699000000.00 495000000.00 281000000.00 242000000.00 270000000.00 374000000.00 298000000.00 324000000.00 250000000.00 379000000.00 290000000.00 18200000.00 253000000.00 472000000.00 181000000.00 334000000.00 154000000.00 Glutathione 699801.99 920874.20 682735.91 750663.30 1583944.30 2760198.82 2420450.21 1059183.89 11200000.00 1995901.06 2564199.64 13200000.00 3401095.46 2073170.02 2150914.73 1838635.66 2828463.44 2810256.42 1037588.53 889374.55 918131.87 3282999.92 2901684.24 961406.72 1356491.18 606434.01 730539.74 1803.70 2656705.09 2569282.90 1726261.74 3931398.22 3561062.38 Glyceraldehyde 15800000.00 8342048.51 6308647.17 5753782.02 71900000.00 102000000.00 66400000.00 2196422.00 95300000.00 51200000.00 2342932.35 84000000.00 70400000.00 67200000.00 81900000.00 10600000.00 85900000.00 11200000.00 54100000.00 3829036.10 2213911.84 2590235.08 93600000.00 66600000.00 5291003.51 19300000.00 10400000.00 767013.93 76000000.00 6318066.53 32300000.00 85500000.00 5777034.68 Glyceric acid 319098.16 290311.18 447364.12 250532.95 1901332.11 369982.99 88799.39 454586.62 384962.15 262783.24 593770.01 131100.76 542235.21 127057.19 256725.01 585455.28 286618.94 225695.10 260757.20 764109.41 221047.58 1561086.75 168844.30 21377.34 156498.86 87714.84 163044.28 1816.83 42650.67 18249.35 24510.48 58843.64 138007.22 Glycine 2459692.05 3327569.81 8251701.18 32700000.00 9392486.52 25500000.00 3283351.56 3618924.41 41000000.00 5727543.70 5249313.44 13000000.00 19600000.00 5491421.59 6968061.26 5351736.06 6001946.10 6606183.29 3995909.67 4320148.67 2800391.22 6813104.77 9803906.96 3949551.01 8011232.89 6903026.49 3654386.05 1340878.38 15800000.00 10500000.00 8710641.90 15900000.00 1917170.76 Histidine 38900000.00 41500000.00 28200000.00 31700000.00 44200000.00 79300000.00 9723449.62 6942859.97 49900000.00 8414145.69 8816241.69 16500000.00 90500000.00 36100000.00 42700000.00 50100000.00 56700000.00 50900000.00 10800000.00 8740911.19 12900000.00 15200000.00 93300000.00 33500000.00 58500000.00 49200000.00 31700000.00 3017759.63 111000000.00 138000000.00 55700000.00 183000000.00 11300000.00 Indole Butyric acid 397858.37 18279.81 4252030.73 431435.78 27767.79 30060.21 46406.26 333764.11 24252.49 5466114.93 313957.96 28896.32 42871.59 16003.26 64544.61 436674.48 68678.98 1057385.35 116542.77 5721307.83 4570868.52 367309.29 26406.92 5117647.43 253822.32 21098.51 5591547.41 5527.92 256062.02 53199.33 3699017.05 42805.54 339141.98 Isocitric acid 132000000.00 149000000.00 138000000.00 106000000.00 229000000.00 309000000.00 11400000.00 10500000.00 26900000.00 7552162.25 12100000.00 13200000.00 206000000.00 127000000.00 200000000.00 167000000.00 320000000.00 204000000.00 21200000.00 15700000.00 7999460.01 21500000.00 205000000.00 79600000.00 88500000.00 161000000.00 104000000.00 927060.43 21800000.00 11700000.00 5726601.63 24100000.00 21900000.00 Isoleucine 340000000.00 286000000.00 264000000.00 311000000.00 494000000.00 987000000.00 86800000.00 63400000.00 512000000.00 77300000.00 97200000.00 230000000.00 939000000.00 284000000.00 485000000.00 396000000.00 844000000.00 747000000.00 98200000.00 72700000.00 55800000.00 120000000.00 719000000.00 218000000.00 360000000.00 590000000.00 237000000.00 2349711.32 448000000.00 416000000.00 171000000.00 529000000.00 135000000.00 iso-10-oxo-11-phytoenoic acid 392107.98 1607630.99 142784.07 536057.77 1002714.82 1886092.36 419888.80 285123.42 417661.19 207292.96 124630.76 264803.99 1640101.59 1006797.81 2441906.46 1190237.88 1289357.06 1041861.42 685986.45 808944.10 472669.89 1314817.61 1489998.59 806997.40 1264946.39 2363996.57 1214200.57 14760.80 355128.94 1353445.17 659182.15 1931772.47 416746.59 Leucine 437000000.00 320000000.00 302000000.00 305000000.00 479000000.00 977000000.00 87300000.00 75700000.00 471000000.00 92500000.00 116000000.00 229000000.00 927000000.00 319000000.00 570000000.00 468000000.00 847000000.00 970000000.00 113000000.00 87000000.00 65200000.00 120000000.00 411000000.00 146000000.00 206000000.00 338000000.00 167000000.00 1908312.53 170000000.00 231000000.00 87800000.00 285000000.00 105000000.00 Linoleic Acid 2167724.69 14432.85 2832325.66 3211208.50 6946230.53 8996.31 2602401.58 1655395.56 1226311.46 2143749.54 2178872.06 3656793.56 5669730.67 8505055.23 14900000.00 8931863.72 13900000.00 2238697.77 6271520.40 7228638.02 5917478.62 13000000.00 8302712.30 190989.90 88626.60 631663.45 119932.91 37055.81 49220.37 151108.08 41327.72 1367506.24 2317515.27 Lysine 28100000.00 21200000.00 21000000.00 20200000.00 18800000.00 20500000.00 6468248.33 4364172.47 7237750.16 3721901.42 6059041.77 11800000.00 31500000.00 22500000.00 30600000.00 42400000.00 35300000.00 37600000.00 8223506.87 8785299.38 8780965.15 11000000.00 17100000.00 14400000.00 23800000.00 19100000.00 21800000.00 1818204.89 12700000.00 21500000.00 11200000.00 19500000.00 12000000.00 Malic acid 55800000.00 29700000.00 44400000.00 69900000.00 104000000.00 121000000.00 126000000.00 73500000.00 258000000.00 85600000.00 118000000.00 149000000.00 73300000.00 73300000.00 59100000.00 59200000.00 98800000.00 83900000.00 76600000.00 64200000.00 39400000.00 72400000.00 114000000.00 43800000.00 67200000.00 104000000.00 42600000.00 1117707.84 95600000.00 45300000.00 42600000.00 80800000.00 105000000.00 Methionine Sulfone 10114.68 15929.65 12323.97 26762.23 29724.19 204247.88 114476.81 49168.09 1507834.91 21546.43 65884.99 297815.63 53488.89 66611.61 16129.19 15728.18 76386.71 32024.67 47028.52 135818.14 48828.51 104296.00 87968.61 8776.29 92182.07 168915.81 30711.62 497.41 381482.71 167808.34 89963.32 119082.10 101273.81 Methionine 20400000.00 16600000.00 21000000.00 30300000.00 43200000.00 107000000.00 56300000.00 26200000.00 194000000.00 36800000.00 44800000.00 73200000.00 85900000.00 57400000.00 53600000.00 36700000.00 62300000.00 98200000.00 62700000.00 40600000.00 33000000.00 68900000.00 119000000.00 26900000.00 57000000.00 72100000.00 29200000.00 314113.53 104000000.00 108000000.00 65000000.00 144000000.00 95000000.00 Myoinositol 540034.01 763380.34 491144.20 761227.75 730025.54 499469.40 564542.07 839548.96 51103.48 926434.58 1304578.60 643102.83 368680.55 1323128.57 845758.15 219992.98 311773.49 68335.40 1179200.38 1523168.86 1843241.47 2004892.36 503258.04 2188011.25 2809536.48 3425832.16 5740930.45 2264885.45 5910241.98 4786632.68 4040864.47 3487769.39 5275040.01 Nicotinamide adenine dinucleotide 5341047.51 10400000.00 12800000.00 16200000.00 36300000.00 81300000.00 10500000.00 10900000.00 53100000.00 8936472.89 12000000.00 22800000.00 60100000.00 26000000.00 23200000.00 10600000.00 25200000.00 20300000.00 4017879.97 1275196.18 4238529.05 7571741.55 21600000.00 19300000.00 11000000.00 15700000.00 9523899.70 6235.88 2690081.71 1094021.54 534763.71 1602378.07 1783066.42 Naringenin 10500000.00 16300000.00 12200000.00 5439837.03 22600000.00 16500000.00 128128.00 71172.49 461395.20 84137.16 29164.53 142576.05 27700000.00 3831101.00 12800000.00 32500000.00 31100000.00 12000000.00 405741.62 186936.68 80915.90 325299.42 9137730.14 4719512.68 5657646.16 8889276.60 4536230.47 4122.64 647570.63 798585.22 294047.55 814288.37 379252.56 Phenylalanine 343000000.00 417000000.00 336000000.00 334000000.00 523000000.00 1230000000.00 76200000.00 74600000.00 423000000.00 74900000.00 110000000.00 176000000.00 877000000.00 303000000.00 526000000.00 448000000.00 856000000.00 777000000.00 98000000.00 71200000.00 55600000.00 81300000.00 461000000.00 163000000.00 221000000.00 461000000.00 176000000.00 1833125.29 109000000.00 104000000.00 47300000.00 126000000.00 62300000.00 Proline 239000000.00 252000000.00 251000000.00 357000000.00 375000000.00 727000000.00 245000000.00 202000000.00 837000000.00 236000000.00 239000000.00 368000000.00 662000000.00 337000000.00 372000000.00 295000000.00 409000000.00 489000000.00 330000000.00 227000000.00 187000000.00 326000000.00 512000000.00 240000000.00 340000000.00 488000000.00 267000000.00 7033528.66 510000000.00 464000000.00 299000000.00 655000000.00 309000000.00 Pyruvate 578000000.00 286000000.00 448000000.00 688000000.00 1030000000.00 1230000000.00 1200000000.00 718000000.00 2510000000.00 844000000.00 1130000000.00 1430000000.00 695000000.00 713000000.00 586000000.00 524000000.00 994000000.00 877000000.00 737000000.00 624000000.00 365000000.00 692000000.00 1140000000.00 447000000.00 659000000.00 1050000000.00 451000000.00 8829313.92 929000000.00 442000000.00 418000000.00 783000000.00 1010000000.00 Serine 15000000.00 25500000.00 19400000.00 24800000.00 21700000.00 22400000.00 9991133.50 7832315.48 15400000.00 8999458.30 9586974.94 17000000.00 38000000.00 24500000.00 25300000.00 24500000.00 18500000.00 18200000.00 10200000.00 8492693.38 10800000.00 12600000.00 19100000.00 16900000.00 20200000.00 23700000.00 19000000.00 5786098.72 21400000.00 36400000.00 20700000.00 34600000.00 10600000.00 Succinic acid 2668050.91 2891939.62 2401446.29 2114760.29 4156890.20 6818581.87 1217345.03 2519480.03 3223390.74 1709851.56 1429403.64 1977191.97 4834252.26 2272443.24 4537752.78 4868837.64 6651463.02 6065129.59 1587688.00 1268346.09 688404.31 1801256.31 4145985.15 2327333.44 2309874.71 4678913.91 2062040.85 75074.79 1872317.06 1958313.08 1183151.93 1769675.91 1895453.96 Threonine 107000000.00 105000000.00 93000000.00 124000000.00 151000000.00 188000000.00 100000000.00 61000000.00 163000000.00 58000000.00 75900000.00 207000000.00 240000000.00 163000000.00 172000000.00 126000000.00 148000000.00 149000000.00 80900000.00 58800000.00 71400000.00 134000000.00 255000000.00 178000000.00 224000000.00 277000000.00 188000000.00 9083595.21 280000000.00 313000000.00 189000000.00 400000000.00 174000000.00 p-coumaric acid 289000000.00 416000000.00 190000000.00 232000000.00 231000000.00 271000000.00 3211905.68 2292979.00 9476178.59 965883.24 1541142.82 1779918.66 108000000.00 36600000.00 65000000.00 101000000.00 150000000.00 132000000.00 3621865.97 1946941.48 1876063.68 4166033.12 94300000.00 24400000.00 278000000.00 560000000.00 393000000.00 1787334.33 4083423.59 7997332.91 1839718.17 5683425.62 6405165.17 Zeatin 199547.44 307919.51 309231.63 228806.84 742320.38 1370643.85 212364.43 140171.18 1199311.54 169150.83 322938.36 469877.24 352324.82 477313.33 423249.38 168744.86 574442.20 126187.42 222410.22 224842.01 35110.35 407350.78 851522.71 24287.84 779057.17 1301647.08 309236.38 497.41 387165.44 489459.01 224055.50 1293846.39 436483.63 Tryptophan 34700000.00 19600000.00 24800000.00 23000000.00 44600000.00 85200000.00 12200000.00 9596783.03 59300000.00 10700000.00 14100000.00 25400000.00 73300000.00 30000000.00 46600000.00 43000000.00 128000000.00 72000000.00 11500000.00 8042119.67 6892878.95 13200000.00 138000000.00 223000000.00 50200000.00 63500000.00 30800000.00 115401.99 19600000.00 25000000.00 8095054.56 14200000.00 9463453.11 Tyrosine 417000000.00 487000000.00 541000000.00 503000000.00 961000000.00 1570000000.00 147000000.00 119000000.00 701000000.00 81600000.00 180000000.00 314000000.00 1110000000.00 484000000.00 579000000.00 643000000.00 1220000000.00 1010000000.00 157000000.00 175000000.00 102000000.00 182000000.00 941000000.00 347000000.00 566000000.00 1080000000.00 304000000.00 2157443.57 405000000.00 353000000.00 151000000.00 420000000.00 179000000.00 Zealexin A4 1414170.62 1888097.92 1184140.57 1107080.01 5560253.52 6557787.79 635683.15 798702.47 471127.20 503408.15 676526.34 630257.26 2772922.61 1687460.33 1728762.86 1962455.89 2773624.21 2084687.78 439921.38 505949.36 403468.32 1100586.09 5661403.23 860833.81 1298360.62 4577426.65 1193376.20 4469.71 277357.09 581304.15 280346.85 600576.84 653880.76 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantitated m/z [M+H]+ PubChem 13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid 295.2273 16061072 12-oxo-11-phytodienoicacid 293.21167 5280411 13-oxo-9Z,11E-octadecadienoic acid 295.22732 6446027 2-Benzoxazolinone 135.13203 6043 3-Phosphoglyceric acid 187.0007 724 Abscisic Acid 265.14398 5280896 Adenosine Monophosphate 348.0709 6083 Alanine 90.0555 5950 Alpha-Ketoglutaric acid 147.0293 51 Anthranilic acid 138.0555 227 Arginine 175.1195 6322 Asparagine 133.0613 6267 Aspartic acid 134.0453 5960 Benzothiazole 136.022 7222 Chlorogenic Acid 355.10291 1794427 Cis-Aconitic acid 175.02426 643757 Ferulic Acid 195.0657 445858 Fructose-6-phosphate 261.0375 69507 Glucosamine 180.08719 439213 Glutamic acid 148.0609 33032 Glutamine 147.0769 5961 Glutathione 308.09163 124886 Glyceraldehyde 91.0395 751 Glyceric acid 107.0344 752 Glycine 76.0398 750 Histidine 156.0773 6274 Indole Butyric acid 204.10245 8617 Isocitric acid 193.0348 1198 Isoleucine 132.1024 6306 iso-10-oxo-11-phytoenoic acid 295.22732 16061074 Leucine 132.1024 6106 Linoleic Acid 281.24805 5280450 Lysine 147.1133 5962 Malic acid 135.0293 525 Methionine Sulfone 182.0487 69961 Methionine 150.0588 876 Myoinositol 181.0712 892 Nicotinamide adenine dinucleotide 664.117 5892 Naringenin 273.0763 932 Phenylalanine 166.0868 6140 Proline 116.0711 145742 Pyruvate 89.02387 107735 Serine 106.0504 5951 Succinic acid 119.03443 1110 Threonine 120.066 6288 p-coumaric acid 165.0551 637542 Zeatin 220.1198 449093 Tryptophan 205.0977 6305 Tyrosine 182.0817 6057 Zealexin A4 249.14907 135398014 METABOLITES_END #END