#METABOLOMICS WORKBENCH pramodwangikar_20200106_223951 DATATRACK_ID:1889 STUDY_ID:ST001302 ANALYSIS_ID:AN002168 PROJECT_ID:PR000883 VERSION 1 CREATED_ON January 9, 2020, 12:42 pm #PROJECT PR:PROJECT_TITLE Metabolome Profiling of a Fast-growing Cyanobacterium Synechococcus elongatus PR:PROJECT_TITLE PCC 11801 under Diurnal Cycle PR:PROJECT_TYPE Measurement of relative metabolite pools under sinusoidal diurnal cycle PR:PROJECT_SUMMARY The project aims to identify the metabolic changes that occur during diurnal PR:PROJECT_SUMMARY cycle in a fast growing cyanobacterium Synechococcus elongatus PCC 11801. It is PR:PROJECT_SUMMARY a promising host for biofuel production and therefore its studying its PR:PROJECT_SUMMARY metabolism under diurnal condition might provide ideas to engineer it better for PR:PROJECT_SUMMARY growth in outdoor conditions. PR:INSTITUTE Indian Institute of Technology Bombay PR:DEPARTMENT Department of Chemical Engineering PR:LABORATORY Biosystems Engineering Lab PR:LAST_NAME Wangikar PR:FIRST_NAME Pramod P PR:ADDRESS Department of Chemical Engineering, Indian Institute of Technology Bombay, PR:ADDRESS Powai, Mumbai, Maharashtra, India - 400076 PR:EMAIL wangikar@iitb.ac.in PR:PHONE +91 (22) 2576 7232 (o) PR:FUNDING_SOURCE DBT-PAN IIT Centre for Bioenergy (Grant No: BT/EB/PAN IIT/2012) PR:CONTRIBUTORS Damini Jaiswal and Pramod P. Wangikar #STUDY ST:STUDY_TITLE Metabolome Profiling of a Fast-growing Cyanobacterium Synechococcus elongatus ST:STUDY_TITLE PCC 11801 under Diurnal Cycle ST:STUDY_TYPE Measurement of relative metabolite pools under diurnal cycle using isotopic ST:STUDY_TYPE ratio method ST:STUDY_SUMMARY Experiments were carried out by growing Synechococcus elongatus PCC 11801 cells ST:STUDY_SUMMARY in multicultivators designed to provide sinusoidal light. The period was 14:10 ST:STUDY_SUMMARY (light-dark). The samples for metabolomics analysis were collected in the second ST:STUDY_SUMMARY diurnal cycle at an interval of 6 hours starting from 25th hour (25, 31, 37 and ST:STUDY_SUMMARY 43 hours). The light intensity amplitude was 600 µmole photons.m-2. s-1. ST:STUDY_SUMMARY Additionally samples were also collected using cells grown under continuous ST:STUDY_SUMMARY light illumination of 600 µmole photons.m-2. s-1 to compare the difference in ST:STUDY_SUMMARY metabolite levels compared to that in the diurnal cycle. ST:INSTITUTE Indian Institute of Technology Bombay ST:DEPARTMENT Department of Chemical Engineering ST:LABORATORY Biosystems Engineering Lab ST:LAST_NAME Wangikar ST:FIRST_NAME Pramod P ST:ADDRESS Department of Chemical Engineering, Indian Institute of Technology Bombay, ST:ADDRESS Powai, Mumbai, Maharashtra, India - 400076 ST:EMAIL wangikar@iitb.ac.in ST:PHONE +91 (22) 2576 7232 (o) #SUBJECT SU:SUBJECT_TYPE Bacteria SU:SUBJECT_SPECIES Synechococcus elongatus PCC 11801 SU:TAXONOMY_ID 2219813 SU:GENOTYPE_STRAIN Synechococcus elongatus PCC 11801 #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 - 11801 LDC 25-HR BR1 IS IDA-1 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR1 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR1 IS IDA-2 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR1 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR1 IS IDA-3 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR1 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR2 IS IDA-1 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR2 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR2 IS IDA-2 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR2 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR2 IS IDA-3 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR2 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR3 IS IDA-1 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR3 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR3 IS IDA-2 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR3 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 25-HR BR3 IS IDA-3 Time (h):25 | Treatment Condition:MORNING RAW_FILE_NAME=11801 LDC 25-HR BR3 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=111 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR1 IS IDA-1 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR1 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR1 IS IDA-2 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR1 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR1 IS IDA-3 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR1 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR2 IS IDA-1 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR2 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR2 IS IDA-2 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR2 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR2 IS IDA-3 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR2 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR3 IS IDA-1 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR3 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR3 IS IDA-2 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR3 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 31-HR BR3 IS IDA-3 Time (h):31 | Treatment Condition:MID-DAY RAW_FILE_NAME=11801 LDC 31-HR BR3 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR1 IS IDA-1 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR1 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR1 IS IDA-2 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR1 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR1 IS IDA-3 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR1 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR2 IS IDA-1 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR2 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR2 IS IDA-2 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR2 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR2 IS IDA-3 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR2 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR3 IS IDA-1 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR3 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR3 IS IDA-2 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR3 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 37-HR BR3 IS IDA-3 Time (h):37 | Treatment Condition:EVENING RAW_FILE_NAME=11801 LDC 37-HR BR3 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=156 SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR1 IS IDA-1 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR1 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR1 IS IDA-2 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR1 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR1 IS IDA-3 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR1 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR2 IS IDA-1 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR2 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR2 IS IDA-2 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR2 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR2 IS IDA-3 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR2 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR3 IS IDA-1 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR3 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR3 IS IDA-2 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR3 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 LDC 43-HR BR3 IS IDA-3 Time (h):43 | Treatment Condition:MID-NIGHT RAW_FILE_NAME=11801 LDC 43-HR BR3 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=- SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR1 IS IDA-1 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR1 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR1 IS IDA-2 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR1 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR1 IS IDA-3 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR1 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR2 IS IDA-1 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR2 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR2 IS IDA-2 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR2 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR2 IS IDA-3 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR2 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR3 IS IDA-1 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR3 IS IDA-1; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR3 IS IDA-2 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR3 IS IDA-2; Light Intensity (µmole photons m-2 s-1 )=600 SUBJECT_SAMPLE_FACTORS - 11801 600uE CLDC BR3 IS IDA-3 Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION RAW_FILE_NAME=11801 600uE CLDC BR3 IS IDA-3; Light Intensity (µmole photons m-2 s-1 )=600 #COLLECTION CO:COLLECTION_SUMMARY Experiments were carried out by growing Synechococcus elongatus PCC 11801 cells CO:COLLECTION_SUMMARY in multicultivators designed to provide sinusoidal light. The period was 14:10 CO:COLLECTION_SUMMARY (light-dark). The samples for metabolomics analysis were collected in the second CO:COLLECTION_SUMMARY diurnal cycle at an interval of 6 hours starting from 25th hour (25, 31, 37 and CO:COLLECTION_SUMMARY 43 hours). The light intensity amplitude was 600 µmole photons m-2 s-1. CO:COLLECTION_SUMMARY Additionally samples were also collected using cells grown under continuous CO:COLLECTION_SUMMARY light illumination of 600 µmole photons m-2 s-1 to compare the difference in CO:COLLECTION_SUMMARY metabolite levels compared to that in the diurnal cycle. Samples were quenched CO:COLLECTION_SUMMARY with methanol and extracted using the methanol-chloroform-water method. Extracts CO:COLLECTION_SUMMARY were stored at -80°C till LCMS analysis. LCMS analysis was done in the negative CO:COLLECTION_SUMMARY ion mode using information-dependent acquisition (IDA) method. CO:SAMPLE_TYPE Bacterial cells #TREATMENT TR:TREATMENT_SUMMARY The metabolites were extracted using a methanol-chloroform-water method TR:TREATMENT_SUMMARY described in the "Sample Collection and Treatment Protocol" file of the TR:TREATMENT_SUMMARY collection data. #SAMPLEPREP SP:SAMPLEPREP_SUMMARY One aliquot of the metabolite extract of each sample were reconstituted in SP:SAMPLEPREP_SUMMARY 100µL 50:50 methanol-water and filtered using nylon syringe filters to remove SP:SAMPLEPREP_SUMMARY any particulate matter. The metabolite extract of each test sample was mixed SP:SAMPLEPREP_SUMMARY with equal volume of an extract of the PCC 11801 WT biomass that is fully SP:SAMPLEPREP_SUMMARY labeled with 13C isotopic carbon by growing for ~5 generations in the presence SP:SAMPLEPREP_SUMMARY of NaH13CO3 in modified BG-11 medium. 13C-labeled biomass of PCC 11801 that SP:SAMPLEPREP_SUMMARY acted as an internal standard. The injection volume was 6 µL. The peak areas SP:SAMPLEPREP_SUMMARY corresponding to the 12C and 13C monoisotopic peak for the metabolites of SP:SAMPLEPREP_SUMMARY interest were quantified using MultiQuant 3.0.1 (SCIEX, Framingham, MA). The SP:SAMPLEPREP_SUMMARY relative quantification of metabolites was done using isotopic ratio method by SP:SAMPLEPREP_SUMMARY normalizing area under the peak for monoisotopic m/z of a particular metabolite SP:SAMPLEPREP_SUMMARY by its respective highest possible isotopologue present in the internal standard SP:SAMPLEPREP_SUMMARY giving area ratio. SP:PROCESSING_STORAGE_CONDITIONS On ice SP:EXTRACT_STORAGE -80℃ #CHROMATOGRAPHY CH:CHROMATOGRAPHY_TYPE Reversed phase CH:INSTRUMENT_NAME Shimadzu 20AD CH:COLUMN_NAME Phenomenex Synergi Hydro RP 100 A (100 x 2mm, 2.5um) CH:FLOW_GRADIENT The gradient method used is as follows: 0% B (0.01 min), 0% B (2 min), 35% B (8 CH:FLOW_GRADIENT min), 35% B (10.5 min), 90% B (15.50 min), 90% B (20.5 min), 0% B (22 min), and CH:FLOW_GRADIENT 0% B (30 min) CH:FLOW_RATE 0.3 mL/minute CH:SOLVENT_A 10 mM tributylamine + 15mM acetic acid in water CH:SOLVENT_B 100% Methanol #ANALYSIS AN:ANALYSIS_TYPE MS #MS MS:INSTRUMENT_NAME ABI Sciex 5600+ TripleTOF MS:INSTRUMENT_TYPE QTOF MS:MS_TYPE ESI MS:ION_MODE NEGATIVE MS:MS_COMMENTS The peak areas corresponding to the 12C and 13C monoisotopic peak for the MS:MS_COMMENTS metabolites of interest were quantified using MultiQuant 3.0.1 (SCIEX, MS:MS_COMMENTS Framingham, MA). The relative quantification of metabolites was done using MS:MS_COMMENTS isotopic ratio method by normalizing area under the peak for monoisotopic m/z of MS:MS_COMMENTS a particular metabolite by its respective highest possible isotopologue present MS:MS_COMMENTS in the internal standard giving area ratio. #MS_METABOLITE_DATA MS_METABOLITE_DATA:UNITS Area Ratio MS_METABOLITE_DATA_START Samples 11801 LDC 25-HR BR1 IS IDA-1 11801 LDC 25-HR BR1 IS IDA-2 11801 LDC 25-HR BR1 IS IDA-3 11801 LDC 25-HR BR2 IS IDA-1 11801 LDC 25-HR BR2 IS IDA-2 11801 LDC 25-HR BR2 IS IDA-3 11801 LDC 25-HR BR3 IS IDA-1 11801 LDC 25-HR BR3 IS IDA-2 11801 LDC 25-HR BR3 IS IDA-3 11801 LDC 31-HR BR1 IS IDA-1 11801 LDC 31-HR BR1 IS IDA-2 11801 LDC 31-HR BR1 IS IDA-3 11801 LDC 31-HR BR2 IS IDA-1 11801 LDC 31-HR BR2 IS IDA-2 11801 LDC 31-HR BR2 IS IDA-3 11801 LDC 31-HR BR3 IS IDA-1 11801 LDC 31-HR BR3 IS IDA-2 11801 LDC 31-HR BR3 IS IDA-3 11801 LDC 37-HR BR1 IS IDA-1 11801 LDC 37-HR BR1 IS IDA-2 11801 LDC 37-HR BR1 IS IDA-3 11801 LDC 37-HR BR2 IS IDA-1 11801 LDC 37-HR BR2 IS IDA-2 11801 LDC 37-HR BR2 IS IDA-3 11801 LDC 37-HR BR3 IS IDA-1 11801 LDC 37-HR BR3 IS IDA-2 11801 LDC 37-HR BR3 IS IDA-3 11801 LDC 43-HR BR1 IS IDA-1 11801 LDC 43-HR BR1 IS IDA-2 11801 LDC 43-HR BR1 IS IDA-3 11801 LDC 43-HR BR2 IS IDA-1 11801 LDC 43-HR BR2 IS IDA-2 11801 LDC 43-HR BR2 IS IDA-3 11801 LDC 43-HR BR3 IS IDA-1 11801 LDC 43-HR BR3 IS IDA-2 11801 LDC 43-HR BR3 IS IDA-3 11801 600uE CLDC BR1 IS IDA-1 11801 600uE CLDC BR1 IS IDA-2 11801 600uE CLDC BR1 IS IDA-3 11801 600uE CLDC BR2 IS IDA-1 11801 600uE CLDC BR2 IS IDA-2 11801 600uE CLDC BR2 IS IDA-3 11801 600uE CLDC BR3 IS IDA-1 11801 600uE CLDC BR3 IS IDA-2 11801 600uE CLDC BR3 IS IDA-3 Factors Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):25 | Treatment Condition:MORNING Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):31 | Treatment Condition:MID-DAY Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):37 | Treatment Condition:EVENING Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):43 | Treatment Condition:MID-NIGHT Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION Time (h):- | Treatment Condition:CONTINUOUS LIGHT ILLUMINATION 3-phosphoglycerate 0.53 0.51 0.53 0.38 0.38 0.38 0.36 0.38 0.37 0.94 0.93 0.93 1.08 1.10 1.10 0.87 0.87 0.90 0.28 0.29 0.29 0.26 0.27 0.26 0.23 0.23 0.23 0.30 0.33 0.33 0.29 0.30 0.29 0.31 0.32 0.32 1.33 1.33 1.31 1.23 1.24 1.27 1.10 1.15 1.11 6-phosphogluconate 0.21 0.23 0.25 0.15 0.17 0.16 0.13 0.13 0.12 0.66 0.72 0.73 0.42 0.43 0.40 0.65 0.75 0.74 0.18 0.21 0.19 0.10 0.11 0.11 0.21 0.23 0.22 0.06 0.06 0.07 0.08 0.07 0.13 0.07 0.08 0.08 0.54 0.52 0.57 0.82 0.82 0.86 0.90 0.89 0.99 Acetyl Coenzyme A 19.60 17.62 19.46 13.88 13.80 15.60 9.93 7.05 11.90 13.80 12.20 15.29 11.28 19.30 17.74 15.05 12.87 15.31 17.03 14.38 19.96 9.49 17.07 11.58 7.61 25.05 14.06 12.21 10.19 13.66 6.95 10.26 9.31 11.43 11.67 7.54 15.72 12.11 12.71 10.06 10.70 11.31 10.39 7.78 9.18 Adenosine diphosphate 2.31 2.36 2.30 1.50 1.55 1.53 1.98 1.77 1.73 1.60 1.58 1.65 2.01 1.95 1.96 1.74 1.71 1.70 0.75 0.81 0.82 1.40 0.99 0.97 1.18 1.20 1.21 1.31 1.36 1.36 1.41 1.40 1.42 1.84 1.88 1.88 1.41 1.42 1.39 1.53 1.51 1.52 1.65 1.62 1.61 Adenosine monophosphate 3.99 3.59 3.94 2.73 2.79 2.81 3.13 3.47 3.24 2.00 2.03 1.96 2.20 2.22 2.22 1.94 1.87 1.78 0.57 0.70 0.56 0.63 0.65 0.68 0.86 0.98 0.93 1.85 2.00 1.81 2.20 2.25 2.21 1.36 1.45 1.40 2.36 2.50 2.68 2.69 2.43 2.59 3.14 3.33 3.39 Adenosine triphosphate 2.58 2.59 2.52 1.65 1.68 1.71 1.79 1.92 1.86 1.59 1.64 1.69 2.03 2.02 2.06 1.75 1.73 1.76 0.90 0.87 0.86 1.09 1.06 1.03 1.27 1.22 1.28 1.37 1.41 1.38 1.40 1.45 1.40 1.95 1.90 1.95 1.47 1.46 1.51 1.61 1.65 1.57 1.74 1.65 1.64 ADP ribose 1,2 cyclic phosphate 29.47 46.25 30.73 47.11 34.50 35.19 27.28 37.01 37.86 7.36 5.54 7.35 9.06 7.04 8.68 7.37 6.23 6.62 7.53 10.39 8.09 9.50 10.01 9.60 9.04 11.38 13.34 8.94 8.30 8.76 8.70 9.17 7.12 9.82 11.10 11.49 7.92 5.22 7.21 6.19 6.95 7.94 6.28 5.32 6.13 ADP-glucose 27.87 30.54 42.89 15.57 19.13 20.62 23.08 23.88 46.26 6.93 4.75 7.67 8.22 8.22 6.74 4.26 4.56 5.31 7.36 6.81 6.32 6.60 10.63 6.83 5.41 6.82 9.60 5.34 6.78 7.40 6.56 5.81 4.88 6.48 7.22 6.13 8.62 7.74 8.60 0.09 12.32 10.36 11.81 11.58 12.59 Alanine 1.12 0.70 0.78 1.84 1.86 1.06 0.11 0.19 0.31 3.52 3.32 2.22 2.40 1.83 1.35 0.68 0.65 0.82 0.77 0.62 0.72 0.59 0.42 0.67 0.77 1.06 0.88 2.35 1.27 1.37 1.27 1.21 0.70 1.35 0.61 0.86 3.02 4.21 2.53 1.14 1.29 1.31 2.58 2.77 3.51 Aspartate 0.66 0.65 0.67 0.44 0.64 0.67 0.37 0.62 0.54 0.96 1.16 1.16 1.19 1.18 1.26 0.78 0.97 0.91 0.38 0.59 0.58 0.44 0.64 0.67 0.41 0.63 0.65 0.52 0.79 0.72 0.26 0.41 0.44 0.27 0.45 0.50 0.95 1.19 1.13 0.80 1.10 1.03 0.70 0.92 0.87 Cytidine monophosphate N-acetylneuraminic acid 2.97 2.98 3.20 2.99 3.00 3.01 2.76 3.15 3.15 2.93 3.16 3.26 3.17 3.24 3.25 3.43 3.25 3.43 2.32 2.74 2.63 1.84 2.82 2.68 2.60 2.57 2.63 2.34 2.24 2.76 2.68 2.73 2.88 2.40 2.56 2.55 2.69 2.84 2.75 2.76 2.85 2.73 2.91 2.93 2.95 Cytidine diphosphate 0.88 1.08 0.88 0.56 0.58 0.62 0.71 0.64 0.65 0.66 0.51 0.50 0.79 0.56 0.57 0.53 0.54 0.75 0.49 0.47 0.49 0.62 0.53 0.56 0.76 0.81 0.76 0.93 0.88 0.81 0.94 0.83 0.94 1.11 1.20 1.15 0.47 0.46 0.50 0.69 0.49 0.49 0.59 0.56 0.42 Cytidine monophosphate 1.87 2.56 2.26 1.46 1.39 1.25 1.47 1.72 1.72 1.81 1.98 1.85 2.10 2.05 2.08 1.42 1.66 1.73 0.58 0.79 0.63 0.62 0.50 0.64 0.76 0.76 0.82 2.03 1.95 1.96 2.32 1.94 1.96 1.03 1.15 1.12 5.98 5.35 5.71 5.20 4.94 5.52 6.93 5.98 6.34 deoxy-TDP-rhamnose 27.24 30.72 32.88 20.57 26.45 29.79 24.86 33.86 27.72 7.75 4.88 6.34 7.04 8.48 7.20 6.95 5.84 6.60 5.81 7.05 4.94 8.45 9.56 6.65 6.03 9.00 9.51 3.68 4.44 4.68 3.92 3.86 3.32 3.77 4.53 3.77 6.14 7.62 7.52 6.81 6.76 6.81 5.89 6.38 6.32 deoxy-thymidine monophosphate 0.74 0.80 0.75 0.62 0.57 0.66 0.48 0.47 0.46 2.56 2.15 2.54 2.66 2.71 2.54 1.51 1.47 2.14 0.97 0.90 1.03 1.92 1.17 1.07 1.29 1.26 1.15 1.27 1.02 1.25 1.27 1.52 1.36 1.03 0.98 1.20 1.90 2.11 2.03 1.97 1.74 2.11 2.10 2.05 1.65 Fructose-1,6 bisphosphate 0.40 0.60 0.41 0.34 0.40 0.40 0.42 0.39 0.42 2.52 2.29 2.25 4.08 3.73 3.43 1.78 1.79 1.77 0.32 0.34 0.36 0.40 0.39 0.49 0.49 0.50 0.67 0.29 0.25 0.19 0.23 0.28 0.27 0.27 0.31 0.33 11.72 10.90 11.78 5.00 5.02 4.30 7.48 7.45 7.66 Fructose-6-phosphate 0.35 0.32 0.21 0.26 0.23 0.21 0.21 0.22 0.17 1.42 1.63 1.22 1.82 1.65 2.01 1.22 1.51 1.37 0.68 0.63 0.65 1.38 0.85 0.88 0.82 0.77 0.77 0.06 0.13 0.23 0.14 0.26 0.06 0.42 0.19 0.37 0.77 0.77 0.76 1.28 1.28 1.21 1.54 1.38 1.45 Gamma-aminobutyric acid 0.27 0.44 0.20 0.25 0.25 0.28 0.17 0.24 0.24 0.44 0.53 0.47 0.49 0.42 0.52 0.46 0.50 0.44 0.34 0.34 0.33 0.44 0.44 0.43 0.46 0.49 0.46 0.54 0.52 0.50 0.53 0.48 0.49 0.48 0.45 0.47 0.58 0.57 0.57 0.68 0.64 0.67 0.66 0.67 0.67 Gamma-glutamyl-Alanine 2.76 6.28 3.20 8.15 2.21 2.11 4.61 2.04 4.90 1.60 1.94 0.21 0.94 0.60 0.18 0.32 1.27 2.98 0.62 0.52 0.07 0.59 0.56 0.64 0.75 0.84 0.68 2.44 3.65 2.99 5.41 2.83 3.02 3.45 3.05 2.94 1.68 1.23 1.80 1.75 1.55 1.51 1.46 1.82 2.05 Gamma-glutamyl-Glutamate 10.13 8.60 10.03 6.12 6.68 6.12 7.76 7.48 7.05 4.11 4.04 4.28 4.00 4.05 4.07 3.02 3.22 2.85 1.84 1.86 1.86 1.94 2.41 2.44 1.51 1.50 1.50 7.45 7.73 7.09 5.67 5.27 5.10 5.25 5.37 5.69 1.09 1.00 1.04 1.14 1.18 1.10 1.60 1.28 1.46 Gamma-glutamyl-Isoleucine 7.86 7.65 7.45 6.03 6.02 6.35 6.03 6.09 5.92 0.83 0.78 0.76 0.64 0.69 0.66 0.67 0.68 0.65 2.17 2.15 1.99 1.56 1.64 1.58 3.03 3.10 3.06 5.48 5.51 5.30 5.63 6.04 5.73 6.20 5.77 5.94 1.11 1.08 0.95 0.99 1.01 0.93 0.55 0.62 0.56 Gamma-glutamyl-Leucine 6.53 7.07 6.01 5.57 5.38 5.61 6.22 6.58 6.36 1.06 0.99 1.05 0.92 0.94 0.87 0.94 0.96 0.99 0.94 0.87 0.91 0.84 0.78 0.79 0.68 0.59 0.63 1.54 1.71 1.76 1.38 1.54 1.51 1.90 1.91 1.86 0.69 0.68 0.67 0.77 0.78 0.72 0.87 0.89 0.91 Gamma-glutamyl-Methionine 10.19 12.46 11.05 8.04 8.27 9.02 8.60 7.69 7.11 1.17 1.26 1.28 1.57 1.46 1.67 1.60 1.73 1.79 4.21 4.16 3.90 3.62 3.39 3.81 4.28 4.70 4.56 8.13 7.92 8.24 9.34 8.87 8.42 8.40 9.44 8.74 1.88 2.02 1.89 2.05 1.80 2.16 1.83 1.57 1.69 Gamma-glutamyl-Phenylalanine 24.07 25.03 25.27 21.44 20.65 25.43 24.08 24.80 28.09 1.89 0.04 1.74 1.91 1.67 1.95 1.80 1.55 1.73 3.48 3.71 3.66 3.72 4.25 3.70 4.73 4.61 4.23 6.96 7.10 7.05 7.50 7.81 7.94 7.89 7.70 7.72 1.56 1.61 1.88 2.27 2.30 2.07 1.85 1.97 2.08 Gamma-glutamyl-Tryptophan 46.84 44.12 50.23 34.46 27.31 34.30 37.67 45.44 48.35 0.36 0.38 0.46 0.42 0.45 0.51 0.47 0.43 0.47 1.35 1.50 1.29 1.09 1.77 1.62 2.15 1.92 2.18 9.81 9.42 9.92 13.06 12.74 11.91 12.39 12.43 12.63 0.41 0.37 0.34 0.70 0.56 0.54 0.42 0.42 0.48 Gamma-glutamyl-Tyrosine 1.50 1.72 1.63 1.65 1.65 1.28 1.75 1.85 2.07 0.15 0.10 0.06 0.08 0.08 0.04 0.15 0.12 0.14 0.40 0.35 0.39 0.46 0.40 0.43 0.45 0.43 0.47 1.50 1.71 1.82 0.80 0.86 0.81 2.13 2.04 2.16 0.09 0.09 0.07 0.11 0.10 0.09 0.06 0.06 0.08 Gamma-glutamyl-Valine 4.92 4.30 4.60 3.86 3.68 3.84 4.01 4.01 4.01 1.00 1.07 1.14 0.98 1.03 1.06 1.05 0.96 0.97 0.95 0.93 0.92 1.04 1.01 1.04 1.32 1.30 1.36 2.00 2.21 2.13 2.22 2.09 1.98 2.06 1.93 1.99 1.29 1.21 1.22 1.21 1.24 1.23 0.98 1.06 1.05 GDP-fucose 21.37 27.26 33.85 11.66 13.61 18.07 16.00 16.39 34.32 5.76 4.05 6.15 6.59 6.78 5.66 4.33 4.83 5.11 6.85 6.45 5.27 6.59 9.49 6.69 5.89 6.84 11.30 4.04 5.96 5.35 4.05 4.07 3.30 5.03 5.44 4.47 6.59 6.60 6.82 6.09 6.38 5.56 5.89 5.67 11.76 GDP-mannose 10.07 11.81 8.23 6.92 11.75 6.67 6.25 9.98 9.01 4.05 2.05 2.99 3.42 3.59 3.97 3.08 2.05 2.09 5.78 5.07 3.94 3.91 4.87 5.62 4.96 4.13 5.61 2.39 3.30 2.64 2.53 3.39 2.67 3.12 2.48 3.03 4.05 3.12 4.30 3.67 3.22 3.50 4.63 4.00 4.57 Glucose-6-phosphate 0.24 0.21 0.21 0.18 0.18 0.20 0.20 0.25 0.19 1.31 1.21 1.37 1.71 1.71 1.64 1.24 1.28 1.22 0.58 0.60 0.57 0.78 0.74 0.78 0.71 0.68 0.69 0.07 0.16 0.06 0.16 0.13 0.19 0.13 0.22 0.15 0.59 0.58 0.56 0.83 0.82 0.85 1.15 1.15 1.15 Glutamate 0.36 0.36 0.35 0.30 0.31 0.31 0.26 0.25 0.24 0.64 0.63 0.59 0.65 0.59 0.61 0.63 0.62 0.63 0.45 0.45 0.46 0.56 0.56 0.58 0.62 0.63 0.62 0.69 0.67 0.67 0.68 0.68 0.66 0.63 0.62 0.59 0.80 0.84 0.81 0.90 0.92 0.90 0.91 0.92 0.91 Glutamine 0.86 1.13 0.97 0.95 1.27 0.99 0.90 1.20 1.57 2.20 1.06 1.80 0.80 1.08 1.39 3.00 2.09 1.46 2.12 2.16 2.14 2.29 1.85 1.91 1.71 1.73 1.73 0.87 0.87 0.81 1.03 0.99 0.85 0.74 1.01 0.84 5.13 4.50 4.61 0.82 0.66 0.72 0.94 0.97 0.96 Glycerol-3-phosphate 0.75 1.60 1.16 1.97 1.32 0.69 0.67 1.39 1.68 2.39 2.29 1.41 1.71 1.39 2.09 1.85 2.06 1.13 2.01 1.26 1.64 1.45 1.61 1.12 1.16 1.43 1.31 1.57 1.44 1.24 1.63 1.24 1.62 1.34 1.39 1.41 1.84 2.33 2.34 2.20 1.88 2.11 4.43 4.50 3.95 Guanosine triphosphate 1.51 1.48 1.72 1.00 0.95 1.06 1.15 1.16 1.16 1.30 1.45 1.43 1.85 1.72 1.89 1.56 1.62 1.57 0.47 0.47 0.47 0.66 0.63 0.66 0.66 0.76 0.84 0.76 0.80 0.87 0.93 0.86 0.85 1.11 1.28 1.25 1.15 1.12 1.14 1.04 1.17 1.15 1.08 1.04 1.15 Guanosine diphosphate 1.39 1.45 1.30 0.85 0.94 0.69 0.93 1.12 1.10 1.39 1.44 1.34 1.80 1.75 1.77 1.54 1.46 1.46 0.48 0.46 0.44 0.39 0.55 0.56 0.78 0.77 0.78 0.86 0.70 0.88 0.97 0.99 0.87 1.25 1.28 1.05 1.18 1.16 1.11 1.09 1.09 1.07 1.05 1.13 1.00 Guanosine monophosphate 2.12 2.84 2.26 1.59 1.78 1.31 1.91 1.76 2.10 1.38 1.83 2.42 1.69 1.81 2.32 2.66 1.37 1.57 0.57 0.68 0.83 0.39 0.38 0.73 0.73 1.10 0.94 2.20 1.57 1.68 1.99 1.64 1.73 0.85 0.81 1.08 6.88 5.84 6.31 6.60 5.56 6.30 7.48 7.29 8.59 Inosine monophosphate 0.41 0.40 0.47 0.52 0.56 0.58 0.61 0.46 0.36 1.59 1.48 1.77 2.14 2.21 2.39 1.71 2.29 1.85 0.13 0.16 0.09 0.19 0.30 0.10 0.13 0.17 0.16 0.46 0.31 0.39 0.41 0.52 0.47 0.44 0.31 0.38 2.71 3.14 2.55 3.15 2.93 2.47 2.12 2.57 1.93 N-acetylglutamate 0.73 0.76 0.74 0.60 0.59 0.61 0.52 0.46 0.49 2.09 2.17 1.96 2.31 2.07 2.06 1.95 1.97 1.88 0.48 0.50 0.46 0.73 0.70 0.69 0.64 0.61 0.69 0.50 0.47 0.45 0.35 0.38 0.28 0.48 0.46 0.44 1.36 1.47 1.36 1.40 1.52 1.45 1.40 1.40 1.48 N-acetylglucosamine-6-phosphate 0.20 0.07 0.15 0.11 0.12 0.18 0.10 0.19 0.37 1.15 1.14 0.87 1.33 1.27 1.44 1.04 1.19 1.63 0.35 0.22 0.32 0.24 0.29 0.32 0.47 0.36 0.28 0.22 0.22 0.21 0.15 0.30 0.31 0.30 0.23 0.29 0.70 0.58 0.56 0.57 0.67 0.76 0.76 0.78 0.73 Nicotinamide adenine dinucleotide (NAD+) 7.11 7.73 8.26 6.14 7.30 6.87 5.69 8.55 6.70 3.54 2.51 3.07 3.27 3.25 3.48 3.50 2.69 2.70 2.93 2.60 2.51 3.07 3.12 2.76 3.02 2.87 3.27 2.70 2.97 2.63 2.55 3.11 2.63 2.93 2.76 2.76 2.16 2.07 2.44 2.27 2.30 2.20 2.00 2.01 2.01 Nicotinamide adenine dinucleotide phosphate (NADP+) 58.23 57.64 64.68 34.58 38.84 37.67 31.96 63.92 48.18 8.79 5.80 8.05 12.08 7.19 8.76 7.31 6.65 6.91 11.19 14.16 11.43 12.91 16.01 10.07 13.72 13.57 19.10 8.34 12.74 12.86 10.24 16.96 8.37 10.85 13.65 15.48 7.57 7.89 8.16 9.95 8.69 8.11 8.04 7.27 6.81 Oxidized glutathione 319.10 316.10 337.10 292.00 272.70 296.20 269.50 375.70 340.30 103.10 40.62 89.61 109.60 96.01 119.10 140.50 89.79 85.59 125.40 122.40 155.00 180.80 213.40 177.70 151.60 139.20 184.20 89.06 86.45 90.37 104.00 103.80 75.94 72.36 85.90 85.65 104.10 98.07 160.70 132.30 124.10 107.00 162.50 150.50 133.00 Phosphoenolpyruvate 0.62 0.69 0.68 0.55 0.56 0.58 0.53 0.45 0.47 1.19 1.26 1.17 1.11 1.09 1.13 1.26 1.34 1.20 0.29 0.31 0.24 0.15 0.12 0.12 0.14 0.12 0.15 0.40 0.38 0.36 0.31 0.35 0.35 0.33 0.34 0.33 1.16 1.15 1.11 1.22 1.25 1.30 0.70 0.72 0.74 Pyroglutamic acid 0.36 0.45 0.37 0.34 0.35 0.37 0.27 0.29 0.25 0.60 0.62 0.57 0.70 0.67 0.66 0.71 0.62 0.87 0.47 0.49 0.44 0.61 0.57 0.59 0.68 0.62 0.63 0.66 0.68 0.66 0.69 0.71 0.68 0.69 0.64 0.61 0.84 0.81 0.77 1.01 0.88 0.94 0.99 0.86 0.90 Ribulose 1,5 bisphosphate 0.19 0.18 0.18 0.11 0.11 0.09 0.14 0.13 0.13 1.86 1.96 2.04 3.12 3.09 2.96 2.07 2.14 2.15 1.53 1.67 1.53 2.57 2.77 2.58 1.99 2.17 2.04 0.15 0.15 0.09 0.10 0.11 0.16 0.16 0.10 0.14 3.21 2.97 3.17 3.34 3.44 3.48 3.25 3.21 3.07 Sedoheptulose 1,7 bisphosphate 0.01 0.02 0.01 0.01 0.01 0.02 0.01 0.01 0.01 0.14 0.14 0.11 0.21 0.23 0.21 0.07 0.07 0.06 0.01 0.01 0.01 0.04 0.02 0.02 0.02 0.02 0.02 0.01 0.00 0.01 0.01 0.00 0.00 0.00 0.01 0.01 0.77 0.75 0.79 0.28 0.30 0.29 0.55 0.61 0.60 Sedoheptulose-7-phosphate 0.40 0.42 0.39 0.29 0.31 0.31 0.28 0.23 0.27 1.99 1.98 1.91 2.40 2.47 2.37 2.00 2.22 2.21 1.17 1.19 1.19 1.51 1.56 1.50 1.23 1.31 1.24 0.24 0.27 0.23 0.41 0.41 0.36 0.35 0.34 0.32 0.75 0.78 0.74 1.82 1.84 1.84 2.04 1.92 2.09 Succinate 1.08 1.49 1.07 0.70 1.21 0.93 0.96 1.62 1.31 1.26 1.38 1.47 1.33 1.93 1.52 1.18 1.08 1.35 1.30 1.13 0.93 1.09 0.95 1.53 1.10 1.27 1.49 1.66 1.31 1.04 1.51 1.45 1.71 0.82 1.00 1.28 1.99 2.38 2.45 1.70 2.04 2.15 2.51 2.78 3.18 Sucrose 0.04 0.06 0.05 0.06 0.07 0.08 0.04 0.03 0.03 0.07 0.08 0.06 0.07 0.07 0.07 0.07 0.06 0.06 0.12 0.12 0.13 0.11 0.11 0.13 0.22 0.22 0.23 0.13 0.14 0.14 0.22 0.21 0.21 0.11 0.11 0.10 0.37 0.36 0.38 0.24 0.24 0.25 0.32 0.33 0.32 Sucrose-6-phosphate 0.03 0.00 0.01 0.02 0.01 0.01 0.01 0.02 0.01 0.02 0.05 0.07 0.04 0.07 0.07 0.07 0.08 0.06 0.01 0.03 0.01 0.04 0.02 0.01 0.04 0.02 0.03 0.01 0.02 0.01 0.00 0.02 0.00 0.01 0.01 0.01 0.24 0.25 0.26 0.24 0.23 0.23 0.19 0.20 0.20 UDP-glucose 11.00 10.29 11.06 7.24 9.51 9.76 6.08 10.99 6.05 4.74 2.86 3.91 4.02 4.27 4.65 4.66 3.49 3.59 4.03 3.34 3.57 4.05 4.64 4.33 4.06 4.22 5.45 2.04 2.46 1.92 2.31 3.05 2.53 2.60 2.40 2.27 2.69 2.51 3.28 2.92 2.65 2.72 2.96 2.83 3.10 UDP-glucuronate 4.83 5.39 5.14 4.91 5.08 5.56 3.27 4.65 3.79 2.67 2.16 2.54 2.99 2.48 3.14 2.53 2.42 2.61 1.62 1.81 1.47 2.98 2.19 2.52 1.48 1.75 2.02 0.59 0.64 0.64 0.70 0.67 0.60 0.70 0.76 0.93 2.79 2.63 3.35 2.39 2.60 2.70 2.86 2.45 2.42 UDP-N-acetyl-glucosamine 18.97 19.03 16.49 21.94 31.14 26.17 13.30 21.15 15.35 18.76 6.73 14.10 13.94 16.10 19.31 23.08 13.37 13.29 4.25 3.83 3.61 3.89 4.00 4.09 3.24 3.34 4.26 1.25 1.77 1.24 1.05 1.87 1.18 1.54 1.37 1.25 12.90 11.22 16.92 13.10 10.99 11.44 23.12 19.85 24.14 UDP-xylose 7.11 7.73 8.26 6.14 7.30 6.87 5.69 8.55 6.70 3.54 2.51 3.07 3.27 3.25 3.48 3.50 2.69 2.70 2.93 2.60 2.51 3.07 3.12 2.76 3.02 2.87 3.27 2.70 2.97 2.63 2.55 3.11 2.63 2.93 2.76 2.76 2.16 2.07 2.44 2.27 2.30 2.20 2.00 2.01 2.01 Uridine diphosphate 1.75 1.74 1.68 1.18 1.25 1.15 1.25 1.30 1.21 1.42 1.45 1.54 1.81 1.81 1.67 1.58 1.64 1.57 1.03 1.11 1.16 1.31 1.36 1.29 2.04 1.93 2.04 2.53 2.41 2.59 3.31 3.27 3.15 3.71 3.67 3.65 1.08 1.10 0.98 1.34 1.30 1.31 1.37 1.32 1.28 Uridine monophosphate 1.37 1.57 1.33 1.28 1.22 1.19 1.10 1.19 1.17 1.70 1.81 1.89 2.21 2.20 2.08 1.34 1.37 1.31 1.94 2.17 2.18 2.09 1.78 1.83 2.22 2.29 2.60 2.89 2.26 2.05 2.97 2.87 2.83 1.72 1.73 1.73 3.31 3.20 3.44 3.25 3.26 3.49 5.11 5.22 5.07 Uridine triphosphate 1.81 1.85 2.02 1.25 1.23 1.23 1.40 1.37 1.30 1.44 1.49 1.55 1.72 1.79 1.80 1.57 1.63 1.64 1.23 1.21 1.26 1.44 1.34 1.33 2.09 2.10 2.09 2.55 2.75 2.55 3.23 3.21 3.17 3.67 3.76 3.79 1.09 1.10 1.13 1.34 1.34 1.37 1.37 1.32 1.40 Xanthosine monophosphate 0.11 0.12 0.10 0.10 0.10 0.08 0.09 0.11 0.08 0.09 0.11 0.08 0.08 0.10 0.09 0.10 0.11 0.09 0.41 0.41 0.46 0.51 0.41 0.45 0.63 0.65 0.62 1.13 1.26 1.05 1.26 1.42 1.42 1.50 1.40 1.42 0.12 0.11 0.09 0.18 0.17 0.18 0.19 0.21 0.22 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name quantified m/z (Da) retention index (min) KEGG ID HMDB ID 3-phosphoglycerate 184.99 14.73 C00197 HMDB0000807 6-phosphogluconate 274.98 14.70 C04442 HMDB0001316 Acetyl Coenzyme A 808.13 15.65 C00024 HMDB0001206 Adenosine diphosphate 426.02 14.95 C00008 HMDB0001341 Adenosine monophosphate 346.06 13.72 C00020 HMDB0000045 Adenosine triphosphate 505.99 15.26 C00002 HMDB0000538 ADP ribose 1,2 cyclic phosphate 620.02 14.97 C19851 HMDB0011671 ADP-glucose 588.08 14.07 C00498 HMDB0006557 Alanine 88.05 1.20 C00041 HMDB0000161 Aspartate 132.03 6.00 C00049 HMDB0000191 Cytidine diphosphate 402.04 13.70 C00112 HMDB0001546 Cytidine monophosphate 322.05 11.60 C00055 HMDB0000095 Cytidine monophosphate N-acetylneuraminic acid 613.15 12.45 C00128 HMDB0001176 deoxy-TDP-rhamnose 547.08 14.06 C03319 HMDB0006354 deoxy-thymidine monophosphate 321.07 12.90 C00364 HMDB0001227 Fructose-1,6 bisphosphate 338.96 15.10 C05378 HMDB0001058 Fructose-6-phosphate 259.02 10.90 C00085 HMDB0000124 Gamma-aminobutyric acid 102.06 6.02 C00334 HMDB0000112 Gamma-glutamyl-Alanine 217.08 7.10 - HMDB0006248 Gamma-glutamyl-Glutamate 275.09 12.60 - HMDB0011737 Gamma-glutamyl-Isoleucine 259.14 12.20 - HMDB0011170 Gamma-glutamyl-Leucine 259.14 12.75 - HMDB0011171 Gamma-glutamyl-Methionine 277.09 10.80 - HMDB0034367 Gamma-glutamyl-Phenylalanine 293.07 13.80 - HMDB0000594 Gamma-glutamyl-Tryptophan 332.07 14.40 - HMDB0029160 Gamma-glutamyl-Tyrosine 309.03 10.90 - HMDB0011741 Gamma-glutamyl-Valine 245.11 10.40 - HMDB0011172 GDP-fucose 588.08 13.60 C00325 HMDB0001095 GDP-mannose 604.07 13.11 C00096 HMDB0001163 Glucose-6-phosphate 259.02 10.60 C00668 HMDB0001401 Glutamate 146.05 5.72 C00025 HMDB0000148 Glutamine 145.09 1.20 C00064 HMDB0003423 Glycerol-3-phosphate 171.01 11.48 C00093 HMDB0000126 Guanosine triphosphate 521.99 15.15 C00044 HMDB0001273 Guanosine diphosphate 442.02 14.70 C01228 HMDB0001201 Guanosine monophosphate 362.02 12.40 C00144 HMDB0001397 Inosine monophosphate 347.05 12.10 C00130 HMDB0000175 N-acetylglucosamine-6-phosphate 300.03 11.70 C00357 HMDB0002817 N-acetylglutamate 188.06 13.60 C00624 HMDB0001138 Nicotinamide adenine dinucleotide (NAD+) 663.11 10.35 C00003 HMDB0000902 Nicotinamide adenine dinucleotide phosphate (NADP+) 743.08 14.90 C00003 HMDB0000217 Oxidized glutathione 611.15 12.40 C00127 HMDB0003337 Phosphoenolpyruvate 166.98 15.04 C00074 HMDB0000263 Pyroglutamic acid 128.04 6.00 C01879 HMDB0000267 Ribulose 1,5 bisphosphate 308.98 15.22 C01182 HMDB0011688 Sedoheptulose 1,7 bisphosphate 369.01 15.18 C00447 HMDB0060274 Sedoheptulose-7-phosphate 289.03 10.90 C05382 HMDB0001068 Succinate 117.02 13.31 C00042 HMDB0000254 Sucrose 341.11 1.49 C00089 HMDB0000258 Sucrose-6-phosphate 421.08 10.49 C16688 - UDP-glucose 565.05 13.15 C00029 HMDB0000286 UDP-glucuronate 579.03 15.04 C00167 HMDB0000935 UDP-N-acetyl-glucosamine 606.08 13.07 C00043 HMDB0000290 UDP-xylose 535.04 13.09 C00190 HMDB0001018 Uridine diphosphate 403.00 14.79 C00015 HMDB0000295 Uridine monophosphate 323.03 11.90 C00105 HMDB0000288 Uridine triphosphate 482.96 15.10 C00075 HMDB0000285 Xanthosine monophosphate 363.04 14.85 C00655 HMDB0001554 METABOLITES_END #END