#METABOLOMICS WORKBENCH Haloxylon_20250601_080252 DATATRACK_ID:5979 STUDY_ID:ST003943 ANALYSIS_ID:AN006482 PROJECT_ID:PR002471
VERSION             	1
CREATED_ON             	June 5, 2025, 11:20 am
#PROJECT
PR:PROJECT_TITLE                 	Project Al-Ula Saudi Arabia: Enabling Ecophysiological Research on Haloxylon
PR:PROJECT_TITLE                 	salicornicum in the Sharaan Nature Reserve
PR:PROJECT_SUMMARY               	We attempted to elucidate the metabolic mechanisms involved in Haloxylon
PR:PROJECT_SUMMARY               	salicornicum's natural adaptations to drought and soil properties, as well as to
PR:PROJECT_SUMMARY               	identify key metabolites that are regulated in a rhythmic and seasonal manner in
PR:PROJECT_SUMMARY               	response to these environmental conditions. To this end, plants were studied
PR:PROJECT_SUMMARY               	across two soil types (clay and sandy), two seasons (winter and summer), and two
PR:PROJECT_SUMMARY               	time points (dawn and midday). Hydric status and primary metabolites were
PR:PROJECT_SUMMARY               	evaluated using untargeted metabolomics. Soil type had minimal impact on
PR:PROJECT_SUMMARY               	physiological and metabolic responses. However, H. salicornicum exhibited marked
PR:PROJECT_SUMMARY               	diel and seasonal variations in metabolism. During winter, higher water
PR:PROJECT_SUMMARY               	potential (–1 MPa) supported anabolic pathways such as carbon assimilation and
PR:PROJECT_SUMMARY               	the biosynthesis of amino acids and carbohydrates. In contrast, summer drought
PR:PROJECT_SUMMARY               	conditions (–5 MPa) led to the suppression of anabolic activities and the
PR:PROJECT_SUMMARY               	activation of catabolic pathways, including starch degradation, to sustain
PR:PROJECT_SUMMARY               	energy metabolism. The synthesis of antioxidants such as ascorbic and caffeic
PR:PROJECT_SUMMARY               	acids further contributed to cellular protection under stress. These results
PR:PROJECT_SUMMARY               	highlight the metabolic plasticity of H. salicornicum and offer valuable
PR:PROJECT_SUMMARY               	insights into its adaptive strategies, laying the groundwork for future studies
PR:PROJECT_SUMMARY               	on the genetic regulation of drought tolerance in desert ecosystems.
PR:INSTITUTE                     	KAUST
PR:DEPARTMENT                    	Biological and Environmental Science and Engineering Division
PR:LABORATORY                    	Biological and Environmental Science and Engineering Division
PR:LAST_NAME                     	Sioud
PR:FIRST_NAME                    	Salim
PR:ADDRESS                       	4700 KAUST, Thuwal, Mecca, 23955-6900, Saudi Arabia
PR:EMAIL                         	salim.sioud@kaust.edu.sa
PR:PHONE                         	+966128082959
#STUDY
ST:STUDY_TITLE                   	Fluctuations in the metabolome of Haloxylon salicornicum under environmental,
ST:STUDY_TITLE                   	seasonal, and diurnal variations in a desert environment
ST:STUDY_SUMMARY                 	Haloxylon salicornicum is a xero-halophyte desert species that is a benchmark
ST:STUDY_SUMMARY                 	species for investigating the mechanisms of drought tolerance. Herein, we aimed
ST:STUDY_SUMMARY                 	to unravel the metabolic mechanisms involved in Haloxylon salicornicum's natural
ST:STUDY_SUMMARY                 	adaptations to drought and soil chemical properties, as well as to identify key
ST:STUDY_SUMMARY                 	metabolites that are regulated in a rhythmic and seasonal manner in response to
ST:STUDY_SUMMARY                 	these conditions. To that end, two soil types (clay and sandy), two seasons
ST:STUDY_SUMMARY                 	(winter and summer), and two two-time points (dawn and midday) were selected.
ST:STUDY_SUMMARY                 	The plant’s hydric status was evaluated, along with primary metabolites, using
ST:STUDY_SUMMARY                 	untargeted metabolomic analysis. The soil variations had no significant effect
ST:STUDY_SUMMARY                 	on the plants’ physiological and metabolic behavior. However, across seasons,
ST:STUDY_SUMMARY                 	H. salicornicum showed high metabolic activities during dawn compared to midday,
ST:STUDY_SUMMARY                 	underscoring its metabolic plasticity to mitigate the effects of high
ST:STUDY_SUMMARY                 	temperatures and sunlight. During winter, the plant’s hydraulic status was
ST:STUDY_SUMMARY                 	relatively high (-1 MPa), facilitating the activation of anabolic pathways, such
ST:STUDY_SUMMARY                 	as carbon fixation and assimilation, as well as the biosynthesis of amino acids
ST:STUDY_SUMMARY                 	and carbohydrates to support growth and prepare carbon reserves. However, in
ST:STUDY_SUMMARY                 	response to the combined drought and heat stresses of summer, the plants
ST:STUDY_SUMMARY                 	exhibited low water potential values, reaching -5 MPa. This resulted in an
ST:STUDY_SUMMARY                 	arrest of anabolic processes and stimulation of catabolic pathways, particularly
ST:STUDY_SUMMARY                 	starch breakdown, to sustain carbon metabolism and maintain energy production.
ST:STUDY_SUMMARY                 	Additionally, efficient antioxidant molecules (e.g., ascorbic acid and caffeic
ST:STUDY_SUMMARY                 	acid) were synthesized to detoxify harmful radicals and protect cellular
ST:STUDY_SUMMARY                 	structures. These results provide valuable insights into the metabolic
ST:STUDY_SUMMARY                 	adaptations of H. salicornicum to its natural environment, offering a foundation
ST:STUDY_SUMMARY                 	for further studies of its genetic regulatory mechanisms.
ST:INSTITUTE                     	King Abdullah University of Science and Technology
ST:DEPARTMENT                    	Biological and Environmental Science and Engineering Division
ST:LABORATORY                    	Biological and Environmental Science and Engineering Division
ST:LAST_NAME                     	Sioud
ST:FIRST_NAME                    	Salim
ST:ADDRESS                       	4700 KAUST
ST:EMAIL                         	salim.sioud@kaust.edu.sa
ST:PHONE                         	0544700623
#SUBJECT
SU:SUBJECT_TYPE                  	Plant
SU:SUBJECT_SPECIES               	Haloxylon salicornicum
SU:TAXONOMY_ID                   	454511
SU:GENDER                        	Not applicable
#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           	EBAD	EBAD_01	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_01.mzML
SUBJECT_SAMPLE_FACTORS           	EBAD	EBAD_02	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_02.mzML
SUBJECT_SAMPLE_FACTORS           	EBAD	EBAD_03	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_03.mzML
SUBJECT_SAMPLE_FACTORS           	EBAD	EBAD_04	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_04.mzML
SUBJECT_SAMPLE_FACTORS           	EBAD	EBAD_05	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_05.mzML
SUBJECT_SAMPLE_FACTORS           	EBAD	EBAD_06	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBAD_06.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_01	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_01.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_02	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_02.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_03	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_03.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_04	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_04.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_05	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_05.mzML
SUBJECT_SAMPLE_FACTORS           	EBAM	EBAM_06	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBAM_06.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_01	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_01.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_02	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_02.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_03	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_03.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_04	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_04.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_05	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_05.mzML
SUBJECT_SAMPLE_FACTORS           	EBFD	EBFD_06	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=EBFD_06.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_01	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_01.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_02	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_02.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_03	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_03.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_04	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_04.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_05	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_05.mzML
SUBJECT_SAMPLE_FACTORS           	EBFM	EBFM_06	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=EBFM_06.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_01	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_01.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_02	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_02.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_03	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_03.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_04	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_04.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_05	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_05.mzML
SUBJECT_SAMPLE_FACTORS           	SSAD	SSAD_06	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSAD_06.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_01	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_01.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_02	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_02.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_03	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_03.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_04	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_04.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_05	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_05.mzML
SUBJECT_SAMPLE_FACTORS           	SSAM	SSAM_06	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSAM_06.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_01	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_01.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_02	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_02.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_03	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_03.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_04	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_04.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_05	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_05.mzML
SUBJECT_SAMPLE_FACTORS           	SSFD	SSFD_06	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	RAW_FILE_NAME(Raw file name)=SSFD_06.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_01	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_01.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_02	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_02.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_03	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_03.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_04	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_04.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_05	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_05.mzML
SUBJECT_SAMPLE_FACTORS           	SSFM	SSFM_06	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	RAW_FILE_NAME(Raw file name)=SSFM_06.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Six uniform, exposed, green shoot samples were collected, corresponding to both
CO:COLLECTION_SUMMARY            	DWP and MWP measurements. The samples were placed on dry ice during sampling and
CO:COLLECTION_SUMMARY            	subsequently stored at -80 °C until analysis
CO:SAMPLE_TYPE                   	Plant
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment, this is an observational study. Before extraction, the samples
TR:TREATMENT_SUMMARY             	were lyophilized in the VirTis Freezemobile 25XL Lyophilizer (SP Scientific Inc,
TR:TREATMENT_SUMMARY             	USA) to remove water and preserve plant extract quality. The lyophilizates were
TR:TREATMENT_SUMMARY             	then finely ground in a SPEX Geno Grinder 2010 (SPEX SamplePre, USA) using Geno
TR:TREATMENT_SUMMARY             	grinder Grinder 2251PC polycarbonate vials with 11 mm grinding balls. The
TR:TREATMENT_SUMMARY             	grinding was performed at 1000 rpm for 4 min.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Primary metabolite extraction was performed according to Salem et al. (2016).
SP:SAMPLEPREP_SUMMARY            	Thirty 30 mg of the powder was homogenized with 1 mL of methyl-tert-butyl
SP:SAMPLEPREP_SUMMARY            	ether/methanol (HPLC grade; 3:1, v/v) in 2 mL Eppendorf tubes. A few 0.5 mm
SP:SAMPLEPREP_SUMMARY            	glass beads were added to the mixture, The samples were then placed in the Bead
SP:SAMPLEPREP_SUMMARY            	Blaster 24R (Benchmark Scientific) and subjected to 3 cycles of shaking at
SP:SAMPLEPREP_SUMMARY            	4 °C, for 1.5 minutes. and shaken seven times at 426 rpm for 1.30 min at 4
SP:SAMPLEPREP_SUMMARY            	°C, followed by immediate sonication at 0 °C for 20 min. The homogenate was
SP:SAMPLEPREP_SUMMARY            	mixed with 650 µL of a phase separation solution comprising methanol and miliQ
SP:SAMPLEPREP_SUMMARY            	water (1:3, v/v), vortexed for 1 min, and then centrifuged at 20,000 rpm for 2
SP:SAMPLEPREP_SUMMARY            	min. Meanwhile, a method blank (0 mg of plant tissue) was prepared as a control
SP:SAMPLEPREP_SUMMARY            	for monitoring background effect, as well as a mixture of amino acids, organic
SP:SAMPLEPREP_SUMMARY            	acids, and sugars was used as a standard. Simultaneously, a quality control
SP:SAMPLEPREP_SUMMARY            	(QC), consisting of an addition of small aliquots from all the studied samples,
SP:SAMPLEPREP_SUMMARY            	was prepared and used for further data processing. A 200 µL aliquot of the
SP:SAMPLEPREP_SUMMARY            	middle phase (polar phase) of all samples including the blank, standard, and QC
SP:SAMPLEPREP_SUMMARY            	were transferred into glass vials and evaporated using the Acid-Resistant
SP:SAMPLEPREP_SUMMARY            	CentriVap Vacuum Concentrator (Labconco, USA). Derivatization The dried extract
SP:SAMPLEPREP_SUMMARY            	was re-suspended in 30 µL of methoxyamine hydrochloride prepared in pyridine,
SP:SAMPLEPREP_SUMMARY            	and the mixture was incubated for 90 min. at 36 °C with an agitation at 600
SP:SAMPLEPREP_SUMMARY            	rpm. The derivatization process was finalized by adding 50 µL of
SP:SAMPLEPREP_SUMMARY            	N,O-Bis(trimethylsilyl)trifluoroacetamide) containing 1% trimethylchlorosilane
SP:SAMPLEPREP_SUMMARY            	(BSTFA), and spiked with C7-C40 saturated alkanes standard 1000 µg/mL. The
SP:SAMPLEPREP_SUMMARY            	homogenate was incubated at 36 °C for 30 min with a shaking at 600 rpm.
SP:PROCESSING_STORAGE_CONDITIONS 	-80℃
SP:EXTRACT_STORAGE               	4℃
SP:SAMPLE_DERIVATIZATION         	MSTFA/BSTFA
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	splitless_Full scan OT 36 min metabolomics
CH:CHROMATOGRAPHY_TYPE           	GC
CH:INSTRUMENT_NAME               	Thermo Scientific TRACE 1310 GC
CH:COLUMN_NAME                   	Thermo Scientific Trace GOLD TG-5SilMS (30m × 0.25mm, 0.25um)
CH:SOLVENT_A                     	-
CH:SOLVENT_B                     	-
CH:FLOW_GRADIENT                 	-
CH:FLOW_RATE                     	1ml/min Helium gas
CH:COLUMN_TEMPERATURE            	280
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Scientific Orbitrap Exploris GC 240
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	EI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	A Thermo Scientific Orbitrap Exploris GC 240, which has a maximum resolving
MS:MS_COMMENTS                   	power of 240,000 (at m/z 200 FWHM), was used for the analysis of the primary
MS:MS_COMMENTS                   	metabolites. Sample introduction was performed using a Thermo Scientific™
MS:MS_COMMENTS                   	TriPlus™ RSH auto-sampler, and chromatographic separation of the gas-phase
MS:MS_COMMENTS                   	chemical components was achieved using a Thermo Scientific™ TRACE™ 1310 Gas
MS:MS_COMMENTS                   	Chromatograph equipped with Thermo Scientific™ Trace GOLD™ TG-5SilMS 30 m ×
MS:MS_COMMENTS                   	0.25 mm i.d. × 0.25 μm column. The Orbitrap Exploris GC was tuned and
MS:MS_COMMENTS                   	calibrated using PFTBA to achieve mass accuracy of <1.0 ppm. The Orbitrap
MS:MS_COMMENTS                   	Exploris 240 mass spectrometer operated in electron ionization (EI) which was
MS:MS_COMMENTS                   	set at 300 ˚C, and the electron energy was set to 70eV with an emission current
MS:MS_COMMENTS                   	of 50µA. The acquisition mode was set to full scan with a scan range of 35-700
MS:MS_COMMENTS                   	Da and an orbitrap resolution of 60000 (FWHM, measured at m/z 200). The AGC
MS:MS_COMMENTS                   	target was set to standard and the maximum injection time was set to auto mode.
MS:MS_COMMENTS                   	The data acquisition was lock-mass corrected using GC column bleed siloxane
MS:MS_COMMENTS                   	masse of m/z 207. The Trace 1310 GC operated with an injection volume of 1 µl
MS:MS_COMMENTS                   	of sample that was injected using a 10 µL syringe into a single gooseneck with
MS:MS_COMMENTS                   	glass wool Thermo Scientific™ Liner GOLD. The inlet mode was set to Split mode
MS:MS_COMMENTS                   	with a split flow of 40ml/min and a purge flow of 5 ml/min. The helium carrier
MS:MS_COMMENTS                   	rate was set to 1.2 ml/min. The oven temperature was maintained initially at
MS:MS_COMMENTS                   	70°C for 2 min and increased to 220 °C at a rate of 8°C/min, then increased
MS:MS_COMMENTS                   	to 325 °C at a rate of 16°C/min and was held for 10 min.
MS:ION_SOURCE_TEMPERATURE        	300
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	intensity
MS_METABOLITE_DATA_START
Samples	EBAD_01	EBAD_02	EBAD_03	EBAD_04	EBAD_05	EBAD_06	EBFD_01	EBFD_02	EBFD_03	EBFD_04	EBFD_05	EBFD_06	EBAM_01	EBAM_02	EBAM_03	EBAM_04	EBAM_05	EBAM_06	EBFM_01	EBFM_02	EBFM_03	EBFM_04	EBFM_05	EBFM_06	SSAD_01	SSAD_02	SSAD_03	SSAD_04	SSAD_05	SSAD_06	SSFD_01	SSFD_02	SSFD_03	SSFD_04	SSFD_05	SSFD_06	SSAM_01	SSAM_02	SSAM_03	SSAM_04	SSAM_05	SSAM_06	SSFM_01	SSFM_02	SSFM_03	SSFM_04	SSFM_05	SSFM_06
Factors	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Evaporation Basin | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Dawn	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:August | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday	Sample source:green shoot samples | Location:Sandy Dune | Season:February | Time of Day:Midday
5-ALA	2.17E+07	1.03E+07	1.06E+07	7.62E+06	1.24E+07	1.70E+09	3.36E+09	2.26E+09	2.24E+09	2.26E+09	2.44E+09	2.43E+09	5.47E+06	3.71E+07	1.94E+07	1.20E+07	1.10E+07	1.95E+07	3.07E+09	2.56E+09	7.21E+08	2.44E+09	2.18E+09	2.15E+09	5.87E+05	1.35E+07	1.74E+09	9.23E+06	1.63E+09	2.76E+05	2.98E+09	2.24E+09	2.53E+09	2.28E+09	2.24E+09	2.62E+09	1.51E+09	1.39E+07	2.18E+05	2.70E+07	2.79E+07	1.16E+07	2.22E+09	3.51E+09	2.41E+09	1.44E+09	2.71E+09	2.18E+09
Cadaverine	1.01E+07	9.57E+06	3.96E+08	1.05E+07	8.03E+06	2.41E+07	1.16E+09	1.18E+09	8.59E+08	1.21E+09	8.14E+08	9.31E+08	9.35E+07	1.33E+07	3.43E+08	1.41E+07	4.94E+08	2.26E+08	5.00E+08	4.72E+08	5.12E+08	5.45E+08	4.53E+08	4.61E+08	4.65E+06	8.58E+06	7.36E+06	1.16E+08	5.69E+06	4.19E+06	2.57E+08	5.07E+08	1.06E+09	3.50E+07	1.21E+09	1.08E+09	2.08E+06	5.62E+08	1.23E+06	1.06E+07	6.05E+06	1.30E+07	2.68E+08	3.22E+08	4.51E+08	7.54E+07	1.48E+08	6.46E+08
Cysteamine	1.28E+09	1.56E+08	1.65E+09	1.33E+09	1.06E+09	3.39E+08	2.71E+08	2.24E+08	1.97E+08	2.27E+08	2.24E+08	1.64E+08	9.45E+08	2.89E+08	7.91E+08	9.12E+08	7.90E+08	6.11E+07	1.00E+08	6.57E+07	1.14E+08	6.63E+07	5.39E+07	6.84E+07	8.54E+08	1.39E+09	4.82E+08	1.17E+07	1.11E+08	1.85E+08	1.75E+08	2.45E+06	2.27E+08	1.18E+08	2.63E+08	2.32E+08	4.85E+08	8.58E+08	9.55E+07	1.23E+08	9.31E+07	8.97E+07	1.02E+08	1.34E+08	8.07E+07	8.31E+07	1.02E+08	8.81E+07
Cysteinylglycine	1.29E+08	4.45E+08	4.42E+08	4.51E+08	4.04E+08	7.68E+08	2.27E+08	1.46E+08	2.67E+08	2.65E+08	2.75E+08	2.87E+08	2.43E+08	7.05E+08	2.33E+08	3.56E+08	1.51E+08	7.21E+08	5.90E+07	4.74E+07	1.52E+08	1.72E+06	9.25E+07	7.72E+07	1.93E+08	3.46E+08	2.31E+08	1.93E+08	4.04E+08	2.58E+08	2.57E+08	2.52E+08	1.63E+08	2.07E+08	5.16E+08	2.05E+06	1.42E+08	4.06E+08	1.67E+08	1.42E+08	4.07E+08	1.78E+08	5.77E+07	1.85E+08	1.00E+08	1.93E+08	1.46E+08	1.94E+08
Glutamine	4.01E+07	3.68E+07	3.51E+07	4.53E+07	3.28E+07	1.83E+07	7.85E+07	6.50E+06	4.96E+07	6.45E+07	5.15E+07	3.97E+06	2.44E+07	4.70E+06	1.89E+07	3.68E+07	2.23E+07	8.04E+05	2.32E+07	2.22E+07	4.33E+07	4.85E+07	6.58E+07	1.05E+08	8.87E+06	2.62E+06	4.26E+07	4.58E+06	6.23E+07	4.03E+07	3.25E+07	4.41E+06	1.47E+07	1.45E+07	9.60E+07	8.20E+06	6.18E+06	1.70E+07	5.85E+06	5.63E+06	1.34E+07	3.65E+07	1.50E+08	1.98E+08	5.02E+07	1.15E+08	7.45E+07	5.05E+07
Ethanolamine	9.22E+07	1.14E+08	1.10E+08	1.14E+08	8.31E+07	1.39E+08	1.48E+07	7.21E+05	1.35E+07	5.84E+05	1.13E+07	7.56E+06	7.74E+07	7.94E+07	4.89E+07	1.60E+04	2.79E+07	5.02E+07	4.48E+06	6.98E+05	1.39E+06	7.66E+04	5.92E+06	6.69E+06	9.65E+07	1.46E+08	1.47E+08	1.69E+05	9.89E+07	7.31E+07	3.39E+05	3.57E+05	1.68E+07	7.13E+06	1.06E+07	2.76E+05	3.94E+07	4.59E+07	4.86E+07	9.45E+07	4.33E+07	5.77E+07	7.04E+05	2.30E+06	4.40E+06	3.75E+06	7.38E+06	5.95E+06
GABA	1.15E+06	9.64E+05	9.49E+05	9.74E+05	1.26E+06	1.02E+06	1.78E+06	7.09E+07	2.39E+08	2.24E+08	6.78E+07	1.37E+06	1.67E+06	9.45E+05	1.88E+06	8.98E+05	1.62E+06	8.75E+05	4.98E+07	4.40E+05	7.06E+07	1.02E+06	4.88E+07	6.56E+07	9.06E+06	9.87E+05	7.57E+05	4.77E+05	1.99E+07	6.73E+05	6.16E+07	5.46E+07	2.58E+06	1.18E+06	2.67E+06	2.16E+06	9.47E+06	8.17E+05	1.59E+06	9.54E+05	9.91E+06	2.04E+07	9.40E+05	1.02E+06	7.12E+05	2.48E+08	1.44E+06	6.95E+05
Glutamic acid	3.05E+09	3.39E+08	1.48E+09	2.57E+09	2.79E+09	2.23E+08	8.74E+07	3.58E+06	9.79E+07	5.79E+06	3.92E+07	1.23E+08	8.72E+08	1.24E+08	8.99E+07	8.27E+07	1.49E+08	6.20E+07	1.69E+07	8.89E+06	1.68E+07	1.54E+09	3.08E+06	1.95E+07	2.41E+09	3.27E+09	2.51E+09	3.40E+08	2.69E+09	2.72E+09	1.57E+08	1.78E+08	3.41E+07	4.31E+07	4.38E+06	2.60E+07	2.11E+09	2.04E+09	1.05E+08	1.51E+09	1.46E+09	1.79E+09	1.43E+08	1.59E+09	5.11E+06	3.75E+07	2.64E+07	9.64E+06
Glycine	1.12E+04	5.26E+04	1.41E+04	4.35E+04	4.48E+04	2.16E+04	3.15E+07	3.54E+07	2.23E+07	2.54E+07	2.59E+07	2.17E+07	8.73E+03	9.54E+03	1.15E+04	8.89E+03	3.85E+03	8.61E+03	8.97E+06	6.40E+06	1.27E+07	1.03E+07	1.63E+07	2.17E+07	2.50E+04	5.49E+04	1.11E+04	9.68E+03	2.69E+04	1.40E+04	3.95E+07	3.90E+07	3.20E+07	4.09E+07	5.20E+07	4.56E+07	7.96E+03	3.85E+03	8.47E+03	1.36E+04	6.08E+03	4.46E+03	2.74E+07	2.17E+07	1.37E+07	2.59E+07	2.05E+07	1.34E+07
GSH	5.18E+07	3.64E+06	3.96E+07	2.23E+06	4.01E+07	1.30E+06	3.27E+08	1.29E+08	9.92E+07	1.19E+08	8.46E+07	8.98E+07	4.39E+07	2.48E+07	2.69E+07	1.50E+06	1.80E+07	7.19E+06	7.28E+06	3.69E+07	3.84E+07	4.93E+07	6.34E+07	2.37E+07	1.67E+07	2.08E+07	2.06E+07	4.51E+05	1.29E+07	2.31E+06	7.02E+06	1.62E+07	1.00E+08	1.05E+07	1.04E+08	8.07E+07	7.91E+06	1.31E+07	1.09E+06	2.31E+06	1.70E+07	4.11E+06	1.22E+07	6.28E+06	5.36E+07	1.13E+08	1.69E+07	3.11E+07
GSSG	4.12E+08	4.38E+08	5.13E+08	2.75E+08	3.29E+08	3.56E+08	8.26E+06	1.48E+07	1.37E+07	1.10E+07	6.73E+06	1.50E+07	3.28E+07	1.84E+08	1.52E+07	2.15E+08	3.05E+07	5.55E+06	3.17E+06	2.73E+06	6.19E+06	3.63E+06	4.00E+06	3.56E+06	1.80E+08	4.74E+08	2.65E+08	1.15E+08	1.43E+08	9.65E+07	3.44E+06	6.30E+06	1.42E+07	3.00E+06	1.74E+07	1.34E+07	5.42E+07	8.92E+07	4.31E+07	1.08E+08	6.89E+07	2.73E+07	2.75E+06	5.23E+06	6.70E+06	3.60E+06	3.94E+06	9.00E+06
Homoserine	7.72E+06	4.96E+05	1.03E+06	6.47E+04	2.02E+05	2.29E+06	1.30E+08	1.04E+08	1.24E+08	1.21E+08	4.74E+07	1.07E+08	1.96E+05	4.61E+05	1.03E+06	2.37E+05	1.20E+04	1.18E+06	4.14E+07	2.60E+07	2.53E+07	6.69E+07	5.54E+07	3.51E+07	1.09E+07	1.49E+07	7.06E+06	1.38E+06	4.04E+06	2.77E+06	8.54E+06	7.70E+06	1.89E+08	3.99E+07	8.65E+07	5.68E+06	7.24E+05	1.34E+05	3.03E+05	1.06E+06	8.98E+05	8.39E+05	4.20E+07	2.88E+07	6.43E+07	3.99E+07	2.93E+07	3.53E+07
Indole	9.96E+08	8.94E+07	6.52E+07	5.48E+07	3.75E+07	5.08E+07	9.27E+07	3.00E+07	1.18E+07	1.74E+08	4.19E+07	1.78E+07	3.43E+07	5.19E+07	1.49E+07	2.72E+07	7.37E+07	8.18E+07	1.63E+06	3.76E+07	1.53E+07	2.71E+06	4.01E+07	8.58E+07	2.04E+09	3.80E+06	3.50E+07	4.27E+07	5.31E+06	5.14E+06	1.27E+08	4.99E+08	7.39E+07	2.46E+08	2.64E+08	2.20E+08	3.37E+09	4.59E+07	4.74E+07	1.86E+06	6.55E+07	4.49E+07	1.59E+08	4.38E+08	5.19E+07	2.47E+08	1.17E+08	6.60E+07
Indoleacetaldehyde	4.92E+08	3.84E+08	4.16E+08	2.32E+07	2.49E+08	1.27E+08	2.70E+06	2.62E+06	1.95E+06	2.41E+06	2.12E+06	2.19E+06	1.25E+08	7.00E+07	7.60E+07	1.08E+08	4.76E+05	2.19E+07	5.32E+05	4.66E+05	7.36E+05	7.06E+05	4.72E+05	6.53E+05	3.34E+08	4.66E+08	2.13E+08	5.21E+07	2.45E+06	8.14E+07	7.52E+05	8.90E+05	3.06E+06	3.63E+05	1.96E+06	2.03E+06	6.85E+07	8.29E+07	3.91E+07	1.93E+07	2.87E+07	2.56E+07	4.09E+05	4.92E+05	7.20E+05	4.38E+05	5.46E+05	3.96E+05
Asparagine	3.24E+09	8.89E+09	8.42E+09	8.83E+09	8.88E+09	9.69E+09	5.55E+07	6.44E+06	1.07E+08	4.24E+07	1.46E+08	2.97E+05	2.34E+09	9.38E+09	9.84E+09	9.74E+09	5.99E+09	1.01E+10	5.67E+06	8.42E+05	4.45E+06	3.34E+05	1.74E+06	5.20E+06	9.42E+09	6.84E+09	9.30E+09	9.89E+09	9.80E+09	3.46E+09	3.71E+07	3.98E+07	1.76E+07	2.66E+06	1.63E+06	2.06E+06	9.75E+09	9.70E+09	4.65E+09	1.02E+10	9.84E+09	9.17E+09	1.89E+07	6.56E+05	3.79E+05	3.58E+05	1.95E+06	1.57E+05
Aspartic acid	3.65E+08	2.19E+09	3.52E+08	4.01E+08	2.75E+08	3.56E+09	3.08E+08	1.72E+09	2.18E+09	2.28E+09	1.32E+09	1.53E+09	1.17E+09	1.56E+08	1.28E+09	2.03E+07	2.43E+09	1.74E+07	7.24E+08	5.73E+08	1.22E+09	1.36E+08	4.98E+07	2.93E+08	4.62E+09	3.01E+09	5.12E+08	1.74E+08	5.02E+08	5.41E+08	3.41E+08	3.61E+08	2.11E+09	4.73E+08	9.83E+08	8.52E+08	4.82E+09	1.26E+09	4.92E+09	3.61E+09	2.09E+08	5.95E+09	4.70E+08	2.79E+08	2.28E+08	4.33E+08	3.63E+08	6.45E+08
Cystathionine	3.39E+08	4.40E+08	4.56E+08	3.66E+08	3.21E+08	2.17E+08	6.46E+09	7.34E+09	7.63E+09	7.39E+09	7.28E+09	6.73E+09	1.26E+08	1.89E+07	1.07E+08	1.02E+08	8.42E+07	2.98E+08	7.02E+09	7.30E+09	7.56E+09	7.18E+09	7.16E+09	6.05E+09	3.01E+08	5.55E+08	3.46E+08	8.75E+07	1.92E+08	4.91E+08	6.71E+09	4.86E+09	7.13E+09	4.89E+09	6.09E+09	6.12E+09	1.10E+08	1.68E+08	7.42E+07	4.37E+07	1.45E+08	1.43E+08	4.75E+09	6.87E+09	6.45E+09	6.16E+09	6.82E+09	7.21E+09
Homocystine	1.33E+09	1.26E+09	1.30E+09	1.73E+09	1.32E+09	1.15E+09	2.78E+08	2.30E+08	2.81E+08	1.93E+08	2.09E+08	1.83E+08	5.07E+08	4.87E+08	3.02E+08	4.08E+08	1.72E+08	3.30E+08	6.92E+07	5.38E+07	1.20E+08	7.99E+07	1.23E+08	1.87E+08	1.04E+09	9.98E+08	8.61E+08	5.03E+08	7.00E+08	4.05E+08	2.19E+08	1.88E+08	2.62E+08	2.42E+08	2.33E+08	2.07E+08	5.22E+08	4.31E+08	1.94E+08	2.93E+08	2.04E+08	1.44E+08	9.87E+07	7.07E+07	7.53E+07	1.33E+08	6.95E+07	7.69E+07
Tryptophan	2.88E+07	3.37E+07	2.95E+07	3.14E+07	2.45E+07	2.91E+07	2.38E+09	9.71E+06	2.46E+09	2.33E+09	5.03E+09	5.00E+09	9.90E+06	1.05E+07	7.08E+06	8.93E+06	9.06E+06	4.45E+06	2.72E+09	2.53E+09	2.53E+09	4.79E+09	2.25E+09	2.86E+09	4.67E+07	1.62E+07	2.66E+07	1.45E+07	2.37E+07	2.29E+07	4.80E+09	3.33E+09	5.09E+09	2.39E+09	2.23E+09	2.62E+09	3.44E+07	1.86E+07	8.89E+06	1.17E+07	8.41E+06	1.13E+07	4.21E+09	2.27E+09	3.95E+09	3.10E+09	2.57E+09	2.44E+09
N-Acetylputrescine	7.57E+08	8.88E+08	9.96E+08	7.29E+08	8.22E+08	7.57E+08	8.41E+07	4.71E+07	1.07E+08	5.18E+07	3.50E+07	5.59E+07	5.56E+08	5.14E+08	4.11E+08	6.78E+08	1.34E+09	2.58E+08	1.03E+07	2.07E+07	5.85E+07	9.25E+07	8.71E+07	1.03E+08	1.85E+09	9.93E+08	1.78E+09	2.07E+09	1.90E+09	2.09E+09	9.37E+07	3.03E+08	5.70E+07	1.21E+08	2.03E+07	2.64E+08	0.00E+00	3.39E+08	1.40E+08	4.89E+09	3.43E+09	3.01E+09	9.40E+07	2.48E+08	8.23E+07	1.02E+08	1.44E+07	8.66E+06
O-Acetylserine	3.89E+07	2.54E+05	1.45E+06	1.43E+06	5.19E+05	1.46E+06	1.03E+09	1.05E+09	9.31E+08	1.29E+09	1.16E+09	5.21E+08	9.36E+05	1.74E+06	9.76E+04	1.10E+06	6.43E+05	7.15E+05	3.20E+08	4.14E+08	3.57E+08	5.79E+08	6.22E+08	2.72E+08	1.25E+06	2.57E+05	2.12E+05	5.95E+05	6.65E+07	1.43E+06	6.21E+07	1.85E+08	1.18E+09	1.14E+08	1.20E+09	7.32E+08	1.76E+05	7.17E+05	1.20E+06	6.66E+05	1.65E+06	1.66E+04	1.47E+08	2.31E+08	3.52E+08	2.26E+08	3.98E+08	5.21E+08
Putrescine	1.65E+07	9.17E+06	8.25E+06	1.00E+07	8.56E+06	7.51E+06	9.86E+06	9.01E+07	3.55E+07	7.89E+07	7.59E+07	8.36E+06	6.86E+06	5.69E+06	4.77E+06	6.05E+07	1.44E+06	1.62E+06	4.28E+06	4.56E+07	5.15E+07	4.72E+07	5.62E+07	4.36E+06	6.55E+06	1.99E+07	7.45E+06	2.91E+06	3.38E+06	1.05E+07	4.82E+06	9.22E+06	9.26E+07	1.11E+07	1.08E+08	7.42E+07	5.54E+06	5.93E+06	2.84E+06	1.89E+06	3.63E+06	6.67E+05	7.53E+07	4.45E+07	5.24E+07	3.67E+06	3.91E+07	3.76E+07
Pyroglutamic acid	4.84E+06	6.83E+06	5.30E+06	3.41E+06	3.48E+06	5.38E+06	3.56E+06	1.87E+06	2.46E+06	2.20E+06	2.94E+06	2.32E+06	1.35E+06	8.36E+05	1.11E+06	7.85E+05	1.58E+06	1.12E+06	1.68E+06	1.04E+06	9.85E+05	5.88E+05	2.22E+06	1.26E+06	4.97E+06	4.92E+06	5.01E+06	1.17E+06	5.98E+06	7.02E+06	2.05E+06	1.81E+06	2.59E+06	4.34E+05	2.48E+06	2.25E+06	8.56E+05	1.56E+06	1.89E+06	3.25E+05	8.06E+05	1.40E+06	1.29E+06	7.93E+05	9.43E+05	1.11E+06	1.09E+06	9.40E+05
SAM	3.99E+08	4.29E+08	3.44E+08	2.43E+08	1.97E+08	1.93E+08	3.81E+07	2.87E+07	1.45E+07	4.44E+07	1.71E+07	2.07E+07	8.95E+07	5.50E+07	5.22E+07	5.50E+07	5.25E+07	2.95E+07	1.52E+06	1.18E+05	3.64E+06	2.76E+06	6.62E+06	8.64E+06	5.82E+08	4.62E+07	2.36E+08	1.19E+08	1.61E+08	1.59E+08	6.75E+07	5.80E+07	2.38E+07	1.83E+07	5.28E+07	9.31E+07	9.65E+07	8.63E+07	4.91E+07	3.47E+07	3.15E+07	4.12E+07	1.79E+07	1.44E+07	4.85E+06	1.06E+07	1.57E+07	1.70E+07
Serine	3.27E+08	8.81E+08	1.22E+09	1.59E+08	8.23E+06	5.01E+08	3.82E+07	1.65E+07	5.07E+07	5.57E+07	4.03E+07	5.50E+07	1.80E+08	4.52E+08	1.92E+08	1.41E+08	1.04E+08	1.25E+08	4.40E+07	3.32E+07	2.99E+07	6.07E+07	3.37E+07	8.93E+07	4.12E+08	8.24E+08	6.23E+08	1.24E+08	4.24E+08	1.71E+08	1.92E+07	2.62E+07	3.45E+07	5.35E+07	3.42E+07	4.38E+07	4.54E+07	1.26E+08	2.00E+07	4.07E+07	2.27E+08	1.13E+08	1.32E+07	2.06E+07	2.05E+07	5.36E+05	1.68E+07	3.29E+07
Serotonin	1.61E+09	1.67E+09	1.30E+09	1.40E+09	1.28E+09	1.31E+09	7.89E+07	2.54E+08	1.65E+08	1.81E+08	1.78E+08	1.25E+08	1.30E+09	8.91E+08	8.06E+08	9.23E+08	9.89E+08	6.97E+07	4.63E+07	5.51E+07	7.54E+07	6.37E+07	5.41E+07	8.57E+07	9.67E+08	1.85E+09	1.24E+09	3.14E+08	8.67E+08	9.06E+08	1.67E+08	1.97E+08	1.82E+08	1.32E+08	3.02E+08	2.10E+08	5.20E+08	1.37E+09	4.36E+08	1.55E+08	2.87E+08	5.02E+08	6.81E+07	7.65E+07	6.19E+07	1.33E+08	4.70E+07	6.30E+07
Spermidine	2.42E+08	2.13E+08	2.23E+08	1.79E+08	2.06E+08	1.41E+08	2.40E+08	2.69E+08	2.87E+08	2.32E+08	2.62E+08	2.96E+08	1.48E+08	1.48E+08	7.46E+07	1.48E+08	5.44E+07	4.91E+07	7.10E+07	6.19E+07	1.29E+08	1.58E+08	5.56E+07	4.73E+07	1.29E+08	2.44E+08	2.12E+08	1.00E+08	2.05E+08	1.65E+08	2.98E+07	3.88E+07	2.47E+08	2.13E+07	7.02E+07	5.76E+07	6.97E+07	7.63E+07	5.55E+07	4.41E+07	5.98E+07	5.55E+07	2.31E+07	6.86E+07	6.43E+07	5.12E+07	9.50E+05	6.06E+07
Tryptamine	6.28E+09	6.31E+09	6.17E+09	6.42E+09	5.02E+09	5.07E+09	3.27E+08	3.73E+08	3.69E+08	2.88E+08	2.33E+08	3.03E+08	6.12E+09	6.49E+09	5.90E+09	4.94E+09	5.91E+09	6.37E+09	1.16E+08	4.02E+07	2.32E+08	2.01E+08	4.86E+07	3.45E+06	6.29E+09	6.38E+09	6.33E+09	5.99E+09	6.04E+09	5.00E+09	2.75E+08	4.99E+08	3.60E+08	2.01E+08	3.60E+08	3.19E+08	6.63E+09	6.54E+09	6.41E+09	6.67E+09	4.95E+09	6.70E+09	1.49E+08	2.57E+08	1.09E+08	1.43E+08	1.26E+08	8.70E+07
Tyramine	4.68E+08	5.40E+08	3.34E+08	4.68E+08	2.29E+08	2.66E+08	3.66E+09	3.50E+09	2.92E+09	3.59E+09	2.61E+09	1.72E+09	1.49E+06	7.42E+07	1.01E+08	7.95E+07	8.60E+07	4.59E+07	1.45E+09	1.04E+09	1.25E+09	1.28E+09	1.03E+09	1.45E+09	1.12E+09	9.18E+08	5.58E+08	1.16E+08	5.82E+08	3.41E+08	1.15E+09	1.19E+09	3.64E+09	8.33E+08	1.87E+09	1.69E+09	2.91E+08	1.83E+08	1.57E+08	5.13E+05	1.68E+08	1.54E+08	4.82E+08	7.60E+08	6.04E+08	5.86E+08	9.28E+08	1.10E+09
Tyrosine	1.76E+06	1.89E+06	1.74E+06	1.34E+06	1.19E+06	1.12E+06	2.41E+06	5.49E+06	8.16E+06	3.97E+06	1.02E+06	1.03E+07	4.29E+05	8.24E+05	3.63E+05	3.96E+05	1.95E+05	2.57E+05	1.25E+06	7.73E+05	5.68E+06	5.02E+06	4.33E+06	4.87E+06	1.31E+06	1.36E+06	1.59E+06	2.69E+05	2.82E+06	6.02E+05	3.39E+06	5.28E+06	2.82E+07	3.17E+06	6.91E+06	7.42E+06	4.09E+05	3.37E+05	3.04E+05	1.31E+05	2.16E+05	1.81E+05	4.82E+06	6.56E+05	7.78E+06	4.09E+06	1.87E+06	5.84E+05
proline	7.45E+07	7.66E+07	7.28E+07	8.36E+07	5.35E+07	4.76E+07	8.36E+05	1.01E+06	8.69E+05	2.57E+05	9.97E+05	2.60E+05	5.87E+07	3.55E+07	8.06E+05	6.28E+07	6.36E+05	2.54E+07	2.81E+05	2.89E+05	4.38E+05	6.32E+05	1.79E+05	7.84E+04	5.06E+07	9.10E+07	5.27E+07	4.06E+05	4.60E+05	1.16E+06	3.91E+05	2.77E+05	3.43E+05	3.58E+05	3.54E+05	2.89E+05	8.12E+05	4.30E+07	2.00E+07	1.72E+07	2.35E+07	3.56E+05	5.68E+05	2.36E+05	3.57E+05	2.25E+05	5.30E+05	1.32E+05
Isoleucine	5.80E+08	7.11E+08	1.08E+09	7.62E+08	6.25E+08	4.25E+08	7.10E+08	6.53E+08	6.61E+08	9.69E+08	9.45E+08	5.22E+08	3.45E+08	3.75E+08	2.41E+08	2.90E+08	2.08E+08	1.51E+08	2.49E+08	2.96E+08	2.68E+08	2.71E+08	3.53E+08	2.31E+08	1.11E+09	9.68E+08	6.89E+08	4.15E+08	2.58E+08	2.04E+08	3.52E+08	2.71E+08	6.86E+08	3.46E+08	5.69E+08	4.67E+08	4.26E+08	5.64E+08	2.19E+08	7.52E+08	9.12E+07	9.15E+07	2.52E+08	3.05E+08	1.21E+08	2.85E+08	2.16E+08	3.35E+08
Leucine	2.67E+08	2.33E+08	6.83E+06	2.17E+08	6.74E+06	9.44E+07	6.89E+08	2.19E+05	2.47E+05	3.02E+05	8.71E+04	2.21E+05	9.89E+07	2.11E+07	9.20E+07	8.73E+07	4.91E+07	3.15E+07	7.28E+04	5.74E+04	1.28E+05	1.22E+05	1.77E+05	1.36E+05	2.86E+05	2.15E+05	3.17E+07	1.32E+07	3.49E+07	9.92E+04	1.44E+05	4.45E+05	3.83E+05	1.16E+05	3.49E+04	2.11E+05	4.67E+07	2.56E+07	2.82E+05	1.70E+07	1.23E+07	9.85E+06	1.01E+05	4.85E+04	9.01E+04	3.07E+05	2.23E+05	8.97E+04
threonine	1.67E+05	1.87E+04	7.78E+05	5.66E+05	6.43E+05	8.08E+05	2.12E+08	2.31E+08	2.37E+08	2.60E+08	1.81E+05	2.25E+08	7.87E+03	4.68E+05	4.16E+05	1.21E+04	1.63E+04	2.66E+05	2.12E+08	7.45E+07	2.41E+08	2.46E+08	1.91E+08	2.37E+08	1.98E+04	4.31E+05	4.49E+05	3.28E+05	4.45E+05	3.20E+04	2.34E+08	2.39E+08	2.49E+08	1.95E+08	2.45E+08	2.51E+08	2.07E+05	1.25E+04	1.31E+05	1.53E+05	1.87E+05	1.14E+05	2.50E+08	2.75E+08	6.39E+05	2.49E+08	2.83E+08	8.81E+07
urea	4.70E+06	3.66E+06	4.98E+06	4.97E+06	2.60E+06	2.71E+06	1.92E+06	1.38E+06	2.50E+06	7.14E+06	2.25E+06	2.55E+06	4.73E+09	7.75E+09	1.52E+06	7.76E+06	1.12E+06	6.90E+09	9.24E+05	2.31E+06	1.92E+06	1.78E+06	8.63E+05	9.65E+05	5.05E+09	6.08E+06	6.30E+06	1.71E+06	1.72E+06	1.55E+06	4.07E+06	6.21E+06	2.45E+06	1.09E+06	1.39E+07	2.16E+06	9.25E+05	1.17E+06	1.58E+06	7.24E+05	8.38E+05	3.16E+05	1.55E+06	4.31E+06	3.86E+06	2.21E+06	9.19E+05	1.10E+06
Noradrenaline	4.23E+06	8.72E+06	1.86E+07	1.43E+07	1.24E+07	1.08E+07	8.35E+07	1.30E+08	1.33E+08	1.79E+08	1.60E+08	1.35E+08	9.21E+05	4.00E+06	3.62E+06	1.22E+07	3.66E+06	3.21E+06	4.22E+07	3.60E+07	5.32E+07	7.58E+07	6.45E+07	3.55E+07																								
Dopamine	1.52E+07	1.13E+07	9.44E+06	9.16E+06	5.65E+06	1.69E+07	1.62E+08	1.85E+08	3.14E+07	1.13E+08	1.11E+08	1.71E+08	2.84E+06	7.96E+06	2.23E+06	2.46E+06	1.02E+06	5.60E+05	7.07E+07	5.08E+07	1.42E+08	1.08E+08	3.64E+07	3.35E+07																								
beta-Alanine	7.48E+08	6.90E+08	7.57E+08	4.63E+08	5.47E+08	5.76E+08	7.11E+06	6.00E+08	3.41E+08	2.38E+08	5.23E+08	8.38E+06	2.80E+09	2.58E+09	2.03E+09	2.46E+09	2.30E+09	2.48E+09	4.24E+06	4.67E+05	1.36E+07	7.90E+07	5.50E+08	1.33E+08																								
Adenosine	2.72E+08	2.93E+08	1.81E+08	2.34E+08	1.38E+08	8.68E+07	2.95E+08	3.46E+08	3.21E+08	3.39E+08	7.27E+07	1.61E+08	6.76E+07	1.13E+07	3.39E+07	3.80E+07	3.13E+07	1.56E+07	6.38E+07	3.20E+07	1.40E+08	1.40E+08	1.18E+07	6.19E+07	2.69E+08	3.23E+08	1.30E+08	6.20E+07	1.26E+08	8.41E+07	1.41E+08	1.59E+08	3.43E+08	6.75E+07	7.09E+07	1.25E+08	6.09E+07	6.42E+07	2.23E+07	1.59E+07	2.33E+07	2.28E+07	2.75E+07	2.86E+07	1.51E+07	3.32E+07	2.49E+07	3.41E+07
Ascorbic acid	1.72E+09	1.54E+09	1.04E+09	6.25E+08	1.95E+09	7.19E+08	4.32E+08	3.12E+08	2.80E+08	2.87E+08	2.64E+08	2.28E+08	2.00E+08	9.83E+07	5.69E+08	2.47E+09	2.11E+08	5.21E+07	9.53E+07	6.59E+07	1.69E+08	1.02E+08	8.71E+07	2.87E+08	7.27E+08	7.30E+08	1.35E+09	3.86E+07	1.99E+08	9.12E+07	2.10E+08	2.08E+08	3.55E+08	1.38E+08	4.20E+08	3.56E+08	3.45E+08	9.02E+06	2.66E+08	9.18E+07	7.03E+06	5.89E+07	1.81E+08	1.70E+08	1.09E+08	1.35E+08	1.45E+08	1.57E+08
Fructose	3.75E+08	4.34E+08	5.30E+08	3.17E+08	3.18E+08	4.04E+08	3.08E+07	2.94E+07	5.65E+06	3.26E+07	1.40E+07	5.41E+06	3.11E+08	5.58E+08	4.38E+07	5.17E+08	4.25E+08	3.57E+08	6.18E+06	3.05E+06	1.36E+07	9.74E+06	1.64E+07	2.05E+07	5.76E+07	4.11E+08	2.87E+08	9.28E+07	1.10E+07	1.29E+08	8.05E+05	3.71E+07	4.05E+07	4.56E+06	1.30E+07	3.63E+07	2.27E+08	2.53E+08	1.76E+08	1.30E+08	2.99E+08	2.09E+08	1.61E+07	1.73E+07	2.60E+06	2.36E+07	1.27E+07	1.09E+07
Fructose 6P	4.05E+08	1.26E+08	3.08E+08	2.60E+08	1.32E+08	9.82E+07	1.79E+08	1.34E+08	1.43E+09	1.24E+09	2.19E+08	7.85E+08	8.81E+07	6.17E+07	3.90E+07	8.20E+07	6.40E+07	1.40E+07	5.26E+07	3.91E+08	6.48E+08	5.50E+08	6.58E+07	2.66E+08	3.98E+07	1.19E+08	2.64E+08	7.32E+07	6.37E+07	5.10E+07	1.76E+08	1.79E+08	1.82E+08	2.56E+08	2.67E+08	2.58E+08	5.78E+07	5.31E+07	2.12E+07	4.55E+07	3.05E+07	2.45E+07	8.22E+07	1.35E+08	7.48E+07	2.05E+08	1.16E+08	1.07E+07
Galactose	7.12E+06	1.30E+06	1.86E+06	1.89E+06	9.56E+05	1.74E+07	1.97E+08	1.08E+08	7.07E+07	1.28E+08	1.12E+08	8.78E+07	2.14E+05	1.21E+06	3.99E+05	6.04E+05	3.88E+05	7.75E+04	3.35E+07	2.24E+07	5.13E+07	4.37E+07	5.73E+05	1.34E+08	1.82E+07	2.16E+06	1.19E+06	5.60E+06	1.54E+07	2.35E+06	1.12E+08	1.11E+08	1.46E+08	7.18E+07	2.54E+08	1.82E+08	7.27E+05	8.09E+05	3.02E+05	7.85E+04	4.92E+05	2.07E+06	8.72E+07	7.51E+07	2.86E+07	4.83E+05	5.77E+07	5.59E+07
Glucose	2.12E+08	2.46E+08	2.09E+08	3.82E+07	1.61E+08	1.42E+08	1.33E+06	3.10E+07	1.22E+10	3.45E+07	3.83E+07	2.37E+07	1.68E+08	8.21E+07	1.47E+08	2.13E+08	9.30E+07	2.11E+08	1.30E+07	1.21E+07	1.43E+07	9.52E+09	7.91E+09	7.55E+06	1.83E+07	1.60E+08	4.38E+07	8.96E+06	5.39E+07	3.68E+07	5.57E+06	2.95E+09	3.07E+07	1.95E+07	3.77E+07	2.77E+07	9.48E+06	1.51E+08	9.68E+06	3.05E+07	3.91E+07	3.33E+07	1.99E+09	9.91E+06	5.70E+09	1.27E+07	7.81E+06	9.56E+06
Glucose 6P	8.27E+07	1.34E+08	1.53E+08	4.78E+07	7.60E+07	6.39E+07	1.18E+09	1.29E+09	1.42E+09	1.24E+09	1.04E+09	7.84E+08	3.32E+07	2.29E+07	1.76E+06	1.14E+07	1.78E+07	8.88E+06	4.15E+08	3.91E+08	6.40E+08	5.50E+08	2.94E+08	2.66E+08	1.17E+08	3.16E+07	1.26E+08	2.26E+07	3.67E+07	1.85E+07	8.46E+08	9.32E+08	1.38E+09	6.94E+08	2.54E+08	8.98E+08	3.40E+07	2.71E+07	8.82E+06	4.55E+07	1.28E+07	5.78E+06	4.84E+08	6.09E+08	2.27E+08	6.66E+08	3.94E+08	3.36E+08
Maltose	3.91E+08	2.93E+08	1.33E+08	1.47E+08	7.58E+07	5.38E+07	1.44E+08	1.27E+08	6.64E+07	7.24E+07	5.59E+07	4.25E+07	6.44E+07	1.66E+07	2.53E+07	2.60E+07	3.16E+07	8.96E+06	1.89E+07	1.31E+07	2.42E+07	1.35E+07	1.16E+07	1.11E+07	6.78E+08	5.24E+08	3.93E+08	2.01E+08	2.43E+08	8.96E+08	2.88E+08	5.48E+07	1.09E+08	2.81E+07	1.06E+08	5.56E+07	6.45E+07	5.91E+07	5.14E+07	5.68E+07	4.34E+07	3.39E+08	1.90E+07	1.86E+07	1.11E+07	1.48E+07	2.11E+07	1.14E+07
Ribose	5.02E+08	3.85E+09	1.64E+09	4.73E+08	5.58E+08	5.60E+06	1.74E+09	2.81E+09	3.48E+09	2.30E+09	3.13E+09	3.15E+09	4.71E+09	9.66E+07	1.04E+09	1.27E+09	3.91E+08	1.85E+08	1.27E+09	1.58E+09	2.61E+09	1.94E+09	2.33E+09	1.80E+09	1.31E+08	4.86E+08	9.03E+08	5.01E+06	1.81E+06	5.24E+07	3.54E+09	5.37E+09	2.86E+09	1.93E+09	3.84E+09	3.34E+09	6.39E+08	4.04E+08	1.50E+08	2.94E+08	1.83E+08	1.12E+09	4.70E+09	3.88E+09	3.38E+09	2.44E+09	2.13E+09	2.21E+09
Ribose 5P	2.70E+07	2.88E+07	4.43E+06	2.70E+07	2.27E+06	1.77E+06	1.20E+06	1.93E+06	1.80E+06	1.38E+06	4.54E+06	3.76E+06	8.54E+06	1.56E+07	6.16E+06	8.74E+06	5.92E+05	5.82E+05	4.64E+05	3.17E+05	5.61E+05	6.62E+05	5.67E+05	1.29E+06	2.70E+07	3.15E+07	2.12E+07	1.83E+07	1.54E+07	9.59E+06	1.37E+06	1.82E+07	1.67E+06	1.48E+06	1.45E+06	1.39E+06	8.32E+06	7.10E+06	9.13E+05	4.63E+06	4.61E+06	3.68E+06	1.72E+06	6.02E+05	3.38E+05	7.86E+06	5.85E+05	3.33E+06
Xylulose	1.66E+09	1.38E+09	1.64E+09	1.55E+09	1.45E+09	7.52E+08	1.74E+09	2.81E+09	3.48E+09	2.30E+09	1.86E+09	1.75E+09	1.19E+09	1.25E+09	8.61E+08	1.27E+09	3.91E+08	1.85E+08	1.17E+09	1.58E+09	2.61E+09	2.07E+09	5.61E+08	9.14E+08	8.14E+08	1.19E+09	8.12E+08	3.33E+08	6.78E+08	5.75E+08	9.55E+08	5.37E+09	2.86E+09	1.33E+09	3.84E+09	2.18E+09	6.39E+08	4.04E+08	1.22E+08	2.94E+08	4.45E+08	2.33E+07	2.22E+09	3.88E+09	1.58E+09	1.12E+09	5.62E+08	1.30E+09
Galactinol	1.17E+07	9.02E+06	3.30E+06	4.30E+06	2.00E+06	1.32E+05	7.69E+07	4.32E+07	3.32E+07	3.24E+07	3.59E+07	2.50E+07	1.71E+06	5.16E+04	7.54E+04	1.96E+04	6.04E+05	3.71E+05	1.05E+07	4.83E+06	9.98E+06	6.28E+06	1.30E+07	2.70E+06	1.19E+07	1.19E+07	4.33E+06	4.48E+06	3.07E+06	2.71E+06	1.42E+08	1.21E+08	4.57E+07	1.18E+08	9.38E+07	9.64E+07	1.35E+06	1.03E+06	7.71E+05	6.46E+05	3.85E+04	5.04E+04	2.44E+07	2.36E+07	8.26E+06	5.83E+07	3.11E+07	1.07E+07
Galacturonic acid	7.43E+08	9.57E+08	8.38E+08	8.00E+08	6.93E+08	1.23E+09	1.23E+08	1.66E+09	2.18E+09	1.70E+09	1.69E+09	1.57E+09	4.39E+08	8.15E+08	3.39E+07	4.97E+08	1.90E+08	1.04E+09	7.77E+08	6.92E+08	1.15E+09	1.05E+09	6.77E+07	8.80E+07	5.05E+08	9.39E+08	5.54E+08	1.68E+08	3.31E+08	2.35E+08	3.21E+08	7.58E+08	1.84E+09	4.27E+08	1.10E+09	9.05E+07	2.07E+08	4.63E+08	2.71E+07	1.29E+08	1.33E+08	1.38E+08	3.67E+08	5.24E+08	8.71E+07	4.45E+07	4.18E+08	3.99E+07
Glucose-1P	1.94E+07	7.59E+06	2.23E+07	1.14E+07	4.07E+06	2.07E+07	2.00E+09	1.89E+09	2.00E+09	1.86E+09	1.78E+09	1.88E+09	1.24E+07	2.73E+09	3.14E+06	1.16E+07	2.87E+06	2.11E+09	1.28E+09	9.93E+08	3.19E+06	1.16E+09	9.25E+08	1.05E+09	1.50E+07	2.62E+07	1.90E+07	4.08E+06	1.13E+07	7.88E+06	1.40E+08	1.83E+08	1.94E+09	1.84E+08	5.20E+07	4.17E+08	4.88E+06	3.11E+06	7.48E+06	9.83E+05	4.31E+06	1.12E+06	6.68E+08	6.23E+08	3.50E+06	2.77E+08	2.18E+08	3.96E+07
Guanosine	8.84E+08	1.00E+09	8.18E+08	7.76E+08	1.02E+09	6.40E+08	1.36E+08	1.27E+08	1.10E+08	1.11E+08	9.58E+07	6.61E+07	8.37E+08	6.30E+08	3.11E+08	5.71E+08	2.33E+08	1.62E+08	3.34E+07	1.01E+08	3.96E+07	3.33E+07	3.07E+07	2.76E+07	5.73E+08	8.21E+08	6.73E+08	1.93E+08	3.95E+08	3.80E+08	1.34E+08	6.08E+08	2.19E+08	2.62E+08	7.44E+08	1.22E+08	2.07E+08	4.88E+08	2.89E+07	8.85E+07	1.52E+08	1.23E+08	5.87E+07	3.33E+08	1.07E+07	3.23E+08	3.20E+08	2.79E+08
leucrose	1.77E+09	1.98E+09	1.30E+09	1.27E+09	8.67E+08	7.47E+08	3.63E+08	2.13E+08	3.24E+08	7.52E+06	4.84E+07	3.92E+07	7.93E+08	3.79E+08	2.29E+08	2.96E+08	1.97E+08	9.47E+07	6.39E+07	2.91E+05	4.93E+05	9.70E+06	2.48E+05	1.38E+05	1.04E+09	1.93E+09	1.06E+09	1.22E+08	5.03E+08	3.06E+08	2.73E+08	7.45E+07	3.47E+08	3.44E+07	5.78E+07	5.81E+07	1.93E+08	5.70E+08	1.09E+08	5.27E+07	7.26E+07	1.04E+08	1.84E+07	2.06E+07	5.71E+06	3.22E+05	3.66E+05	2.65E+05
Maltotriose	6.88E+06	5.45E+06	4.26E+06	2.53E+06	2.23E+06	3.13E+06	2.34E+05	2.21E+05	5.77E+05	2.57E+05	3.06E+05	2.02E+05	7.19E+05	8.73E+05	4.21E+05	4.31E+05	4.58E+05	4.44E+05	2.22E+05	1.39E+05	1.39E+05	2.95E+05	1.37E+05	9.89E+04	4.49E+06	9.13E+06	3.80E+06	2.65E+06	3.10E+06	2.34E+06	1.03E+06	1.56E+06	3.81E+05	3.53E+05	3.39E+05	7.09E+05	1.90E+06	8.12E+05	5.03E+05	5.95E+05	4.98E+05	3.80E+05	8.09E+04	2.36E+05	1.88E+05	3.33E+05	1.33E+05	1.09E+05
Myo-Inositol	4.32E+08	5.65E+07	3.82E+07	1.62E+08	2.23E+08	6.04E+08	1.31E+07	1.46E+07	1.56E+07	2.44E+07	4.86E+06	1.68E+07	1.31E+08	1.78E+08	1.83E+07	2.07E+08	6.80E+07	1.39E+08	3.52E+06	3.66E+06	4.56E+06	6.49E+06	1.11E+07	2.39E+07	2.60E+07	3.66E+07	4.43E+08	1.41E+08	1.61E+08	8.65E+07	1.55E+07	2.70E+06	1.16E+07	1.18E+07	1.69E+07	1.27E+07	9.14E+06	5.08E+07	1.38E+06	4.29E+07	5.18E+04	3.26E+07	4.10E+06	8.47E+06	6.64E+06	4.83E+06	5.36E+06	5.02E+06
Rhamnose	3.76E+06	1.54E+09	2.03E+09	2.52E+09	1.99E+07	6.21E+06	2.61E+07	2.53E+07	2.95E+07	4.05E+07	1.92E+07	1.84E+07	1.76E+06	3.13E+09	2.02E+09	2.53E+07	1.14E+09	2.80E+09	4.33E+06	1.09E+07	1.58E+07	1.63E+07	5.94E+06	1.00E+07	1.40E+08	2.28E+09	2.51E+09	3.20E+09	2.42E+09	2.25E+09	5.46E+06	1.69E+07	3.63E+07	3.06E+06	3.20E+07	4.25E+07	1.60E+09	1.01E+06	7.76E+06	3.80E+09	3.17E+09	2.51E+09	6.69E+06	9.74E+06	9.91E+06	1.29E+07	8.51E+06	6.93E+06
Ribitol	7.57E+08	1.30E+09	9.96E+08	2.85E+09	8.22E+08	1.72E+09	5.98E+07	8.23E+07	1.13E+08	8.55E+07	1.10E+08	8.31E+07	5.56E+08	5.14E+08	4.11E+08	6.78E+08	3.98E+08	2.38E+08	3.42E+07	2.56E+07	4.27E+07	4.40E+07	4.63E+07	1.22E+08	2.62E+09	2.28E+09	1.66E+09	2.07E+09	3.21E+09	2.00E+09	2.24E+08	2.84E+08	4.48E+07	9.62E+07	1.46E+08	3.50E+08	2.01E+09	1.82E+09	2.40E+09	4.89E+09	3.36E+09	1.84E+09	9.44E+07	5.94E+07	3.97E+07	1.33E+08	6.36E+07	1.17E+08
Sucrose	3.52E+08	7.79E+08	5.81E+08	2.41E+08	4.97E+08	3.78E+08	4.65E+08	4.49E+08	5.28E+08	3.70E+08	2.59E+08	2.11E+08	8.72E+07	2.22E+08	4.84E+07	2.21E+08	1.48E+08	6.91E+07	9.04E+07	6.66E+07	1.92E+08	1.09E+08	2.88E+07	3.16E+07	6.60E+08	8.30E+08	6.40E+08	6.19E+07	3.90E+08	3.16E+08	2.21E+08	1.21E+08	5.69E+08	7.59E+07	1.94E+08	1.89E+08	8.67E+07	1.01E+08	1.29E+08	2.25E+07	1.34E+08	1.42E+08	3.88E+07	4.03E+07	2.66E+07	5.10E+07	7.05E+07	4.02E+07
Trehalose	1.44E+09	6.44E+07	4.07E+07	2.86E+07	2.19E+07	1.46E+07	1.26E+08	9.23E+07	6.01E+07	6.40E+07	6.51E+07	2.03E+07	2.53E+07	1.43E+07	1.03E+07	8.02E+06	1.28E+07	4.91E+06	2.11E+07	1.25E+07	2.01E+07	1.53E+07	1.02E+07	7.37E+06	3.73E+07	2.39E+07	2.97E+07	7.40E+06	2.27E+07	2.38E+08	4.08E+07	5.34E+07	3.54E+07	2.82E+06	7.53E+07	7.13E+07	6.64E+06	2.46E+08	4.25E+06	3.42E+06	7.97E+06	5.01E+06	1.27E+07	2.01E+07	3.35E+06	2.27E+07	1.69E+07	1.24E+07
Xylitol	4.72E+08	8.52E+08	3.35E+08	6.02E+08	8.15E+08	6.71E+08	2.64E+08	4.83E+07	1.28E+08	2.26E+07	6.62E+07	6.64E+07	8.76E+08	7.66E+08	7.27E+08	8.75E+08	9.23E+08	4.67E+08	4.83E+07	1.84E+07	1.70E+08	1.30E+08	1.19E+08	2.61E+07	8.22E+08	7.14E+08	3.70E+08	4.20E+08	9.89E+08	1.14E+09	7.45E+07	1.38E+08	5.88E+07	1.08E+08	1.28E+08	6.32E+07	5.92E+08	4.68E+08	4.40E+08	4.89E+08	4.43E+08	6.31E+08	4.43E+07	6.07E+07	8.39E+06	1.24E+08	4.97E+08	2.71E+08
Mannose	3.86E+07	9.04E+06	2.59E+07	2.42E+07	2.15E+05	1.84E+07	5.87E+06	7.25E+06	5.43E+06	6.78E+07	6.72E+07	6.55E+07	1.30E+07	7.29E+06	1.47E+05	3.61E+07	4.43E+06	4.20E+06	1.77E+06	1.30E+07	3.32E+06	2.54E+07	1.42E+06	1.80E+08	3.08E+07	5.51E+07	2.50E+07	1.65E+07	4.16E+07	1.53E+07	6.49E+07	6.94E+06	8.62E+07	1.56E+07	4.21E+06	6.96E+07	7.93E+06	1.25E+05	4.42E+05	1.35E+07	6.57E+06	3.20E+05	4.06E+07	2.08E+07	2.16E+06	1.40E+07	2.46E+07	1.82E+07
Inosine	2.53E+08	8.71E+08	1.22E+07	1.74E+08	1.02E+09	8.41E+06	2.65E+08	1.96E+08	1.89E+08	1.60E+08	1.91E+08	1.45E+08	1.65E+06	4.75E+07	4.44E+06	3.79E+07	2.31E+08	2.43E+06	5.57E+07	3.73E+07	7.02E+07	1.52E+08	1.61E+08	1.42E+07	4.32E+07	8.14E+08	7.34E+08	1.67E+07	1.89E+07	1.24E+07	2.18E+08	5.85E+08	2.17E+08	9.45E+07	6.86E+08	4.21E+07	9.85E+06	3.07E+08	5.87E+06	5.55E+06	1.74E+06	1.52E+07	1.77E+07	3.02E+08	3.04E+08	3.01E+08	3.02E+08	2.66E+08
Melibiose	8.20E+07	7.18E+07	4.20E+07	3.73E+07	2.16E+07	3.31E+07	1.20E+07	2.41E+06	8.57E+06	4.63E+06	2.38E+06	5.20E+06	7.95E+06	3.91E+06	5.04E+06	3.25E+06	3.08E+06	3.06E+06	2.25E+06	4.22E+05	7.72E+05	9.33E+05	8.63E+05	1.27E+06	3.34E+07	3.76E+07	3.00E+07	2.34E+07	1.65E+07	1.21E+07	1.61E+07	6.31E+06	2.45E+06	8.40E+06	9.08E+06	1.09E+07	3.02E+06	4.25E+06	4.11E+06	3.91E+06	2.29E+06	2.32E+06	2.89E+06	2.96E+06	8.85E+05	4.76E+06	2.09E+06	1.22E+06
Uridine	5.50E+08	6.22E+08	4.20E+08	8.22E+08	6.61E+08	1.52E+08	1.08E+09	1.07E+09	2.13E+07	8.88E+06	4.72E+07	1.10E+07	1.16E+09	2.02E+08	8.70E+07	7.94E+08	6.79E+08	4.76E+07	1.96E+07	2.97E+08	5.89E+08	2.41E+07	4.18E+06	2.71E+07	8.28E+08	7.75E+08	9.08E+08	3.40E+08	8.80E+08	3.25E+08	3.85E+08	2.45E+07	3.61E+06	1.96E+07	6.80E+06	9.65E+06	4.37E+08	2.09E+08	2.09E+08	1.64E+08	7.10E+08	2.60E+08	1.36E+07	8.62E+06	1.20E+08	1.15E+07	2.10E+06	1.09E+07
UDP-glucuronate	1.10E+08	6.58E+07	9.95E+07	9.29E+07	9.45E+07	2.05E+07	4.19E+08	3.01E+08	4.19E+08	2.81E+08	5.58E+07	3.92E+08	6.38E+07	1.09E+08	2.41E+07	8.02E+07	3.03E+08	3.60E+07	1.15E+08	4.67E+07	1.78E+08	2.08E+08	9.16E+07	7.14E+07	1.14E+08	1.39E+08	9.46E+07	2.69E+07	1.06E+08	1.16E+08	2.05E+08	2.42E+08	3.21E+08	8.28E+07	3.44E+08	3.23E+08	4.89E+07	3.26E+07	1.34E+07	1.28E+07	9.22E+07	3.13E+07	2.28E+08	1.01E+08	1.17E+08	7.71E+07	1.25E+08	1.17E+08
13-Methylmyristic acid	2.06E+07	2.29E+07	2.36E+07	2.01E+07	1.63E+07	2.14E+07	4.93E+07	4.80E+07	5.04E+07	4.72E+07	4.51E+07	4.40E+07	1.64E+07	1.11E+07	6.41E+06	1.73E+07	4.33E+05	6.47E+05	3.43E+07	2.67E+07	2.79E+07	2.33E+07	2.01E+07	2.17E+06	1.26E+07	1.87E+07	1.53E+07	4.24E+05	9.65E+06	5.91E+06	4.52E+07	4.84E+07	5.07E+07	3.80E+07	4.60E+07	4.39E+07	3.89E+06	4.52E+06	3.03E+06	1.74E+06	6.03E+06	1.92E+06	2.40E+06	2.67E+07	2.51E+07	2.25E+07	2.08E+07	1.93E+07
Coumaric acid	3.46E+09	5.24E+09	5.07E+09	5.24E+09	2.84E+09	3.00E+09	3.01E+08	3.49E+08	1.89E+08	2.07E+08	2.84E+08	2.40E+08	3.31E+09	5.37E+09	3.28E+09	5.35E+09	2.32E+09	3.38E+09	1.46E+08	1.79E+08	5.75E+08	1.36E+08	1.58E+08	3.80E+08	3.63E+09	5.06E+09	5.27E+09	5.33E+09	3.34E+09	5.50E+09	4.06E+08	1.39E+09	2.37E+08	2.75E+08	1.08E+09	3.97E+08	5.38E+09	5.47E+09	5.44E+09	3.88E+09	3.33E+09	5.46E+09	2.98E+08	8.14E+08	2.10E+08	2.75E+08	1.24E+08	4.90E+07
Aconitate	4.41E+08	4.62E+08	4.56E+08	3.98E+08	4.44E+08	3.68E+08	3.39E+07	5.07E+07	6.89E+07	6.54E+07	6.17E+07	5.83E+07	4.82E+08	3.67E+08	4.48E+08	4.30E+08	4.83E+08	3.28E+07	1.49E+07	2.18E+07	2.73E+07	3.60E+07	1.09E+07	7.66E+06	4.37E+06	3.14E+08	4.88E+06	2.90E+07	1.28E+08	2.66E+06	1.82E+07	2.56E+07	5.27E+07	1.41E+07	8.43E+07	6.63E+07	3.19E+07	2.61E+08	6.96E+05	1.78E+08	3.11E+07	1.43E+06	9.96E+06	2.75E+07	2.02E+07	2.54E+07	2.26E+07	2.86E+07
Benzoic acid	6.78E+07	4.42E+07	2.38E+08	5.91E+07	1.73E+08	1.96E+08	9.51E+08	3.61E+07	1.13E+06	2.74E+07	5.90E+06	9.40E+06	2.04E+08	1.03E+08	2.86E+08	1.43E+08	1.23E+08	1.09E+07	1.60E+05	2.53E+06	6.35E+08	1.88E+07	2.66E+07	1.19E+07	2.36E+08	3.25E+08	1.93E+08	3.89E+08	1.35E+08	1.33E+08	3.39E+06	1.39E+09	7.48E+08	2.13E+07	1.37E+07	2.62E+07	2.87E+07	1.80E+08	1.71E+07	9.95E+07	1.10E+08	1.28E+07	1.36E+07	1.58E+07	9.41E+05	7.88E+05	1.75E+07	1.14E+07
Caffeic acid	8.71E+08	2.52E+08	1.02E+09	2.90E+08	3.43E+08	7.27E+08	1.00E+08	1.08E+08	1.03E+08	5.43E+07	5.87E+07	6.10E+07	7.97E+07	6.29E+08	8.66E+07	1.26E+08	7.21E+08	2.94E+08	2.55E+07	2.32E+07	5.21E+07	6.76E+07	3.39E+07	2.18E+07	7.32E+08	9.87E+08	7.56E+08	1.98E+08	1.38E+08	3.90E+08	5.97E+07	9.32E+07	9.49E+07	7.07E+07	8.26E+07	5.07E+07	2.15E+07	1.97E+07	2.35E+08	1.67E+08	3.07E+07	2.56E+08	2.88E+07	5.54E+07	3.80E+07	2.59E+07	2.27E+07	1.78E+07
capric acid	1.84E+07	1.26E+07	9.88E+06	6.99E+06	6.09E+06	9.82E+06	2.27E+07	2.05E+07	2.57E+07	1.76E+07	1.94E+07	1.90E+07	3.43E+06	2.22E+06	3.01E+06	2.50E+06	2.38E+06	1.79E+06	1.36E+07	5.47E+06	1.26E+07	1.43E+06	3.12E+07	7.26E+06	9.20E+06	1.98E+07	1.30E+07	7.80E+06	9.31E+06	8.20E+06	4.48E+07	6.84E+07	2.25E+07	1.00E+07	1.97E+07	1.82E+07	2.46E+06	3.69E+06	2.36E+06	2.77E+06	2.95E+06	1.62E+06	1.01E+07	4.57E+07	6.04E+06	1.25E+07	3.99E+07	8.43E+06
Isocitric acid	6.39E+07	4.21E+09	1.20E+08	3.98E+09	3.96E+09	4.64E+09	1.11E+09	1.22E+09	5.78E+09	5.44E+09	1.26E+09	1.24E+09	4.28E+09	1.06E+09	3.80E+09	4.68E+09	4.18E+09	1.12E+06	3.77E+08	4.75E+08	2.12E+08	1.72E+08	4.17E+08	3.80E+08	4.04E+09	5.37E+09	8.85E+07	3.69E+09	4.83E+09	4.70E+09	8.05E+08	1.39E+09	1.04E+09	1.39E+09	1.03E+09	6.69E+07	3.80E+09	7.91E+08	4.39E+09	5.30E+09	4.72E+07	1.30E+09	2.32E+09	2.16E+09	6.24E+08	7.08E+08	1.78E+09	5.38E+08
Lauric acid	9.87E+09	9.86E+09	1.00E+10	1.01E+10	1.01E+10	9.26E+09	3.17E+07	6.03E+07	5.64E+07	4.26E+07	3.69E+07	2.49E+07	1.00E+10	1.01E+10	1.01E+10	1.00E+10	1.03E+10	9.75E+09	1.83E+07	1.55E+07	2.38E+07	2.32E+07	1.16E+07	3.78E+06	8.66E+09	9.93E+09	9.92E+09	3.13E+09	9.17E+09	7.85E+09	7.29E+05	1.52E+07	5.02E+07	2.87E+04	2.49E+07	1.68E+07	8.95E+09	8.15E+09	9.24E+09	6.30E+09	1.01E+10	1.01E+10	3.51E+06	3.89E+06	1.20E+07	2.67E+05	3.03E+06	9.46E+06
Malic acid	5.31E+08	8.73E+06	4.64E+08	1.33E+07	4.45E+08	4.68E+08	7.34E+08	7.38E+08	3.35E+08	6.66E+08	7.67E+08	7.31E+08	2.56E+07	2.62E+08	5.65E+06	2.12E+08	2.09E+07	1.85E+08	3.09E+08	2.76E+08	5.16E+08	2.90E+08	4.43E+08	5.36E+08	1.52E+07	1.04E+09	1.41E+07	4.76E+08	3.27E+08	8.91E+06	1.35E+09	9.32E+08	3.45E+08	8.82E+08	2.02E+09	4.61E+08	1.55E+08	3.71E+08	1.49E+08	3.12E+08	2.15E+08	2.24E+08	8.65E+08	5.82E+08	6.24E+08	7.94E+08	1.23E+09	8.90E+08
Oleic acid	7.06E+06	8.06E+06	6.43E+06	2.03E+06	4.26E+06	4.32E+06	3.02E+09	3.54E+09	5.38E+09	3.14E+09	3.00E+09	2.91E+09	2.20E+06	4.86E+06	3.51E+06	1.28E+06	9.78E+05	1.88E+06	2.26E+09	1.44E+09	2.23E+09	1.31E+09	1.16E+09	2.18E+08	4.44E+06	1.84E+06	9.90E+06	9.18E+05	1.21E+07	7.94E+06	1.77E+08	7.24E+08	3.21E+09	3.87E+08	4.51E+09	4.31E+09	2.84E+06	2.51E+06	5.28E+06	1.00E+06	1.71E+06	4.02E+06	7.69E+08	4.74E+08	1.42E+09	9.98E+08	1.47E+09	4.45E+07
palmitic acid	4.13E+08	4.20E+08	4.28E+08	3.45E+08	3.40E+08	6.72E+08	6.03E+07	5.51E+07	6.57E+07	6.68E+07	5.54E+07	5.71E+07	2.61E+08	6.46E+08	4.55E+08	2.92E+08	4.12E+08	5.22E+08	1.67E+07	1.53E+07	2.63E+07	2.70E+07	1.58E+07	1.41E+07	6.66E+08	7.74E+08	4.25E+08	4.58E+08	4.76E+08	5.12E+08	6.65E+07	1.14E+08	6.12E+07	3.05E+07	6.12E+07	5.81E+07	6.34E+08	5.49E+08	3.72E+08	6.65E+08	4.24E+08	4.33E+08	3.57E+07	7.09E+07	1.39E+07	2.67E+07	1.80E+07	1.54E+07
pantothenic acid	2.72E+08	8.58E+07	1.49E+08	8.81E+07	8.03E+07	7.54E+07	9.54E+08	8.55E+08	8.92E+08	8.65E+08	8.46E+08	7.77E+08	5.28E+07	2.72E+08	3.49E+07	5.49E+07	3.73E+07	1.28E+08	4.00E+08	2.77E+08	4.40E+08	4.00E+08	1.88E+07	3.09E+08	2.46E+08	5.64E+08	1.58E+08	9.88E+07	1.85E+08	1.35E+08	1.85E+07	8.43E+08	8.16E+08	7.84E+08	1.13E+09	1.02E+09	9.12E+07	4.40E+07	7.37E+07	7.40E+07	5.40E+07	5.39E+07	6.26E+08	5.12E+08	2.77E+08	7.20E+08	5.10E+08	4.29E+08
Quinolinic acid	3.29E+08	3.68E+08	4.21E+09	1.34E+09	3.93E+09	4.10E+09	7.20E+07	2.39E+09	1.59E+05	2.26E+09	2.24E+08	6.12E+07	3.93E+09	3.98E+09	3.81E+09	4.33E+09	4.05E+09	3.82E+09	1.21E+08	1.21E+08	5.73E+07	1.04E+09	4.42E+07	2.38E+07	4.20E+09	1.52E+09	4.73E+09	3.05E+09	4.29E+09	4.21E+09	1.52E+09	8.68E+07	2.90E+09	1.20E+08	1.33E+09	1.21E+09	7.12E+08	4.46E+09	4.26E+09	4.24E+09	4.78E+09	4.92E+09	9.31E+08	9.65E+07	4.32E+08	4.50E+08	3.94E+07	3.29E+07
Shikimic acid	1.69E+08	1.92E+08	5.73E+09	2.29E+08	5.74E+09	2.02E+09	4.46E+09	5.37E+09	4.08E+09	4.30E+09	2.65E+09	2.20E+09	1.45E+08	2.55E+08	1.83E+08	1.22E+08	3.11E+07	2.15E+09	3.75E+08	4.35E+09	4.05E+09	2.16E+09	2.70E+09	4.25E+09	5.62E+09	3.10E+08	6.05E+09	9.06E+08	4.57E+07	1.90E+09	2.69E+09	3.58E+09	2.85E+09	2.50E+09	2.51E+09	2.53E+09	1.78E+09	1.77E+07	1.98E+09	6.88E+07	6.37E+09	6.79E+07	4.31E+09	2.45E+09	4.07E+09	2.47E+09	3.97E+09	2.31E+09
Succinic acid	5.02E+08	5.30E+08	7.58E+07	4.19E+08	4.75E+08	3.82E+08	4.78E+07	4.72E+07	4.99E+07	3.79E+07	4.94E+07	3.44E+07	2.99E+08	4.48E+08	1.44E+08	2.41E+08	3.88E+07	1.46E+08	1.53E+07	3.51E+06	2.72E+07	2.41E+07	8.70E+06	2.21E+07	4.57E+08	8.57E+08	5.05E+08	3.52E+07	3.25E+08	2.52E+08	3.29E+07	5.38E+07	4.65E+07	2.81E+07	3.79E+07	3.84E+07	2.08E+08	2.35E+08	1.06E+08	9.85E+07	1.14E+08	9.84E+06	2.36E+07	2.45E+07	1.81E+07	2.63E+07	6.81E+06	1.98E+07
Tartaric acid	2.04E+05	4.57E+04	1.23E+05	2.39E+04	0.00E+00	5.85E+04	2.24E+08	2.23E+08	1.89E+08	2.20E+08	1.68E+08	2.05E+08	0.00E+00	1.40E+04	3.13E+04	1.41E+04	1.13E+04	4.82E+03	9.02E+07	1.32E+08	1.11E+08	2.66E+08	1.21E+08	9.97E+05	8.37E+04	0.00E+00	8.64E+04	0.00E+00	0.00E+00	0.00E+00	5.38E+07	7.27E+07	2.22E+08	1.95E+08	1.46E+08	1.48E+08	0.00E+00	1.17E+04	0.00E+00	0.00E+00	0.00E+00	1.58E+04	8.28E+07	8.71E+07	1.90E+08	6.63E+07	9.74E+07	1.39E+08
2-Oxoglutaric acid	1.54E+09	1.47E+09	3.88E+08	2.12E+08	1.69E+09	1.21E+09	1.66E+09	1.57E+09	9.65E+06	1.44E+09	3.38E+07	1.63E+09	7.92E+08	5.52E+08	4.68E+08	5.13E+08	5.42E+08	2.82E+08	8.19E+08	6.98E+08	1.05E+09	4.22E+08	1.02E+09	8.27E+08	4.22E+08	1.27E+09	1.12E+09	4.08E+08	8.45E+08	9.47E+08	1.29E+09	1.90E+09	1.54E+09	1.05E+09	2.30E+09	2.16E+09	4.34E+08	4.60E+08	3.36E+08	4.09E+08	7.09E+08	5.17E+08	4.75E+08	1.48E+09	1.14E+08	1.54E+09	1.22E+09	3.22E+08
Phenylpyruvic acid	1.77E+09	1.58E+09	1.67E+09	1.37E+09	1.18E+08	7.39E+07	1.63E+09	2.04E+09	2.05E+09	1.78E+09	1.23E+09	2.26E+07	1.48E+09	1.34E+09	1.23E+09	2.46E+07	1.84E+09	1.80E+07	7.19E+08	9.24E+06	1.87E+07	1.54E+07	4.77E+08	2.79E+08	1.57E+08	2.99E+09	1.68E+09	4.67E+08	2.13E+09	8.95E+07	1.33E+08	1.20E+09	1.96E+09	7.33E+08	3.54E+09	4.55E+08	7.13E+07	1.85E+09	2.85E+07	2.12E+06	2.24E+09	3.58E+06	9.38E+08	2.19E+08	8.58E+08	5.19E+08	2.45E+08	3.67E+09
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	MW	PubChem CID	KEGG Compound ID
5-ALA	131.13	137	C00017
Cadaverine	102.18	273	C01672
Cysteamine	77.15	6058	C00760
Cysteinylglycine	179.21	439498	C01179
Glutamine	146.15	5961	C00064
Ethanolamine	61.08	700	C00189
GABA	103.12	119	C00334
Glutamic acid	147.13	611	C00025
Glycine	75.07	750	C00037
GSH	307.32	124886	C00051
GSSG	612.63	975	C00127
Homoserine	119.12	439246	C00263
Indole	117.15	798	C00463
Indoleacetaldehyde	159.18	1011	C00801
Asparagine	132.12	6267	C00152
Aspartic acid	133.1	5960	C00049
Cystathionine	222.26	439258	C00491
Homocystine	266.34	439258	C00491
Tryptophan	204.23	6305	C00078
N-Acetylputrescine	130.19	110	C00546
O-Acetylserine	146.14	439246	C00263
Putrescine	88.15	1045	C00134
Pyroglutamic acid	129.11	145742	C01042
SAM	398.45	34755	C00019
Serine	105.09	5951	C00065
Serotonin	176.22	5202	C00780
Spermidine	145.25	1102	C00315
Tryptamine	160.22	1150	C00525
Tyramine	137.18	5610	C00533
Tyrosine	181.19	6057	C00082
proline	115.13	145742	C01042
Isoleucine	131.18	6306	C00407
Leucine	131.18	6106	C00123
threonine	119.12	6288	C00188
urea	60.06	1176	C00086
Noradrenaline	169.18	439260	C00788
Dopamine	153.18	681	C03758
beta-Alanine	89.09	239	C00099
Adenosine	267.24	60961	C00212
Ascorbic acid	176.12	54670067	C00072
Fructose	180.16	5984	C00095
Fructose 6P	260.14	439197	C00085
Galactose	180.16	6036	C00124
Glucose	180.16	5793	C00031
Glucose 6P	260.14	439197	C00092
Maltose	342.3	6255	C00208
Ribose	150.13	439242	C00121
Ribose 5P	230.11	439197	C00117
Xylulose	150.13	439242	C00181
Galactinol	342.3	439242	C00842
Galacturonic acid	194.14	439242	C00338
Glucose-1P	260.14	439197	C00103
Guanosine	283.24	135398634	C00242
leucrose	342.3	439242	C01083
Maltotriose	504.44	439242	C01236
Myo-Inositol	180.16	892	C00137
Rhamnose	164.16	439242	C00507
Ribitol	152.15	439242	C00506
Sucrose	342.3	5988	C00089
Trehalose	342.3	7427	C01083
Xylitol	152.15	6912	C00379
Mannose	180.16	18950	C00159
Inosine	268.23	6021	C00294
Melibiose	342.3	439242	C01236
Uridine	244.2	6029	C00299
UDP-glucuronate	580.37	439197	C00062
13-Methylmyristic acid	242.41	439242	C02679
Coumaric acid	164.16	637542	C00811
Aconitate	174.11	439197	C00417
Benzoic acid	122.12	243	C00180
Caffeic acid	180.16	689043	C01197
capric acid	172.26	2969	C01571
Isocitric acid	192.12	439197	C00311
Lauric acid	200.32	3893	C01512
Malic acid	134.09	525	C00149
Oleic acid	282.47	445639	C00712
palmitic acid	256.42	985	C00249
pantothenic acid	219.23	6613	C00864
Quinolinic acid	167.12	1066	C00295
Shikimic acid	174.15	8742	C00493
Succinic acid	118.09	1110	C00042
Tartaric acid	150.09	875	C00493
2-Oxoglutaric acid	146.11	1685	C00026
Phenylpyruvic acid	164.16	999	C00166
METABOLITES_END
#END