#METABOLOMICS WORKBENCH barbaraggcarvalho_20240615_082430 DATATRACK_ID:4923 STUDY_ID:ST003266 ANALYSIS_ID:AN005350 PROJECT_ID:PR002028
VERSION                          	1
CREATED_ON                       	06-20-2024
#PROJECT
PR:PROJECT_TITLE                 	Metabolomics analysis of human spermatozoa reveals impaired metabolic pathways
PR:PROJECT_TITLE                 	in asthenozoospermia
PR:PROJECT_SUMMARY               	Background: Infertility is a major health issue, affecting 15% of
PR:PROJECT_SUMMARY               	reproductive-age couples with male factors contributing to 50% of cases.
PR:PROJECT_SUMMARY               	Asthenozoospermia, or low sperm motility, is a common cause of male infertility
PR:PROJECT_SUMMARY               	with complex etiology, involving genetic and metabolic alterations,
PR:PROJECT_SUMMARY               	inflammation, and oxidative stress. However, the molecular mechanisms behind low
PR:PROJECT_SUMMARY               	motility are unclear. In this study, we used a metabolomics approach to identify
PR:PROJECT_SUMMARY               	metabolic biomarkers and pathways involved in sperm motility. Methods: We
PR:PROJECT_SUMMARY               	compared the metabolome and lipidome of spermatozoa of men with normozoospermia
PR:PROJECT_SUMMARY               	(n = 44) and asthenozoospermia (n = 22) using untargeted LC-MS and the
PR:PROJECT_SUMMARY               	metabolome of seminal fluid using 1H-NMR. Additionally, we evaluated the seminal
PR:PROJECT_SUMMARY               	fluid redox status to assess the oxidative stress in the ejaculate. Results: We
PR:PROJECT_SUMMARY               	identified 112 metabolites and 209 lipids in spermatozoa and 27 metabolites in
PR:PROJECT_SUMMARY               	the seminal fluid of normozoospermic and asthenozoospermic men. PCA analysis of
PR:PROJECT_SUMMARY               	the spermatozoa’s metabolomics and lipidomics data showed a clear separation
PR:PROJECT_SUMMARY               	between groups. Spermatozoa of asthenozoospermic men presented lower levels of
PR:PROJECT_SUMMARY               	several amino acids, and increased levels of energetic substrates and
PR:PROJECT_SUMMARY               	lysophospholipids. However, the metabolome and redox status of the seminal fluid
PR:PROJECT_SUMMARY               	was not altered in asthenozoospermia. Conclusions: Our results indicate impaired
PR:PROJECT_SUMMARY               	metabolic pathways associated with redox homeostasis and amino acid, energy, and
PR:PROJECT_SUMMARY               	lipid metabolism in asthenozoospermia. Taken together, these findings suggest
PR:PROJECT_SUMMARY               	that the metabolome and lipidome of human spermatozoa are key factors
PR:PROJECT_SUMMARY               	influencing their motility and that oxidative stress exposure during
PR:PROJECT_SUMMARY               	spermatogenesis or sperm maturation may be in the etiology of decreased motility
PR:PROJECT_SUMMARY               	in asthenozoospermia.
PR:INSTITUTE                     	University of Aveiro
PR:DEPARTMENT                    	Department of Chemistry
PR:LAST_NAME                     	Guerra-Carvalho
PR:FIRST_NAME                    	Bárbara
PR:ADDRESS                       	Campus Universitário de Santiago, 3810-193 Aveiro, Portugal
PR:EMAIL                         	barbaraggcarvalho@gmail.com
PR:PHONE                         	234 370 360
PR:PROJECT_COMMENTS              	Study part 1 of 2
PR:DOI                           	http://dx.doi.org/10.21228/M8GC01
#STUDY
ST:STUDY_TITLE                   	Metabolomics analysis of human spermatozoa reveals impaired metabolic pathways
ST:STUDY_TITLE                   	in asthenozoospermia (MS data)
ST:STUDY_SUMMARY                 	Background: Infertility is a major health issue, affecting 15% of
ST:STUDY_SUMMARY                 	reproductive-age couples with male factors contributing to 50% of cases.
ST:STUDY_SUMMARY                 	Asthenozoospermia, or low sperm motility, is a common cause of male infertility
ST:STUDY_SUMMARY                 	with complex etiology, involving genetic and metabolic alterations,
ST:STUDY_SUMMARY                 	inflammation, and oxidative stress. However, the molecular mechanisms behind low
ST:STUDY_SUMMARY                 	motility are unclear. In this study, we used a metabolomics approach to identify
ST:STUDY_SUMMARY                 	metabolic biomarkers and pathways involved in sperm motility. Methods: We
ST:STUDY_SUMMARY                 	compared the metabolome and lipidome of spermatozoa of men with normozoospermia
ST:STUDY_SUMMARY                 	(n = 44) and asthenozoospermia (n = 22) using untargeted LC-MS and the
ST:STUDY_SUMMARY                 	metabolome of seminal fluid using 1H-NMR. Additionally, we evaluated the seminal
ST:STUDY_SUMMARY                 	fluid redox status to assess the oxidative stress in the ejaculate. Results: We
ST:STUDY_SUMMARY                 	identified 112 metabolites and 209 lipids in spermatozoa and 27 metabolites in
ST:STUDY_SUMMARY                 	the seminal fluid of normozoospermic and asthenozoospermic men. PCA analysis of
ST:STUDY_SUMMARY                 	the spermatozoa’s metabolomics and lipidomics data showed a clear separation
ST:STUDY_SUMMARY                 	between groups. Spermatozoa of asthenozoospermic men presented lower levels of
ST:STUDY_SUMMARY                 	several amino acids, and increased levels of energetic substrates and
ST:STUDY_SUMMARY                 	lysophospholipids. However, the metabolome and redox status of the seminal fluid
ST:STUDY_SUMMARY                 	was not altered in asthenozoospermia. Conclusions: Our results indicate impaired
ST:STUDY_SUMMARY                 	metabolic pathways associated with redox homeostasis and amino acid, energy, and
ST:STUDY_SUMMARY                 	lipid metabolism in asthenozoospermia. Taken together, these findings suggest
ST:STUDY_SUMMARY                 	that the metabolome and lipidome of human spermatozoa are key factors
ST:STUDY_SUMMARY                 	influencing their motility and that oxidative stress exposure during
ST:STUDY_SUMMARY                 	spermatogenesis or sperm maturation may be in the etiology of decreased motility
ST:STUDY_SUMMARY                 	in asthenozoospermia.
ST:INSTITUTE                     	University of Aveiro
ST:DEPARTMENT                    	Department of Chemistry
ST:LAST_NAME                     	Guerra-Carvalho
ST:FIRST_NAME                    	Bárbara
ST:ADDRESS                       	Campus Universitário de Santiago, 3810-193 Aveiro, Portugal
ST:EMAIL                         	barbaraggcarvalho@gmail.com
ST:PHONE                         	234 370 360
ST:SUBMIT_DATE                   	2024-06-15
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	20 to 49 years old
SU:GENDER                        	Male
SU:HUMAN_INCLUSION_CRITERIA      	Participants enrolled in this study were randomly recruited among men who
SU:HUMAN_INCLUSION_CRITERIA      	attended fertility consultations at the Centre for Reproductive Genetics
SU:HUMAN_INCLUSION_CRITERIA      	Professor Alberto Barros (Porto, Portugal) and the Centro Hospitalar
SU:HUMAN_INCLUSION_CRITERIA      	Universitário de Santo António (Porto, Portugal) from March to June 2021.
SU:HUMAN_INCLUSION_CRITERIA      	Adult men (age ≥ 18 years) diagnosed with asthenozoospermia (AS, sperm total
SU:HUMAN_INCLUSION_CRITERIA      	motility < 42%) were recruited for AS group and men with normal sperm
SU:HUMAN_INCLUSION_CRITERIA      	parameters (sperm concentration ≥ 15 million cells/mL, sperm count ≥ 39
SU:HUMAN_INCLUSION_CRITERIA      	million cells and sperm total motility ≥ 42%) were recruited for the control
SU:HUMAN_INCLUSION_CRITERIA      	group (normozoospermia (NZ) group).
SU:HUMAN_EXCLUSION_CRITERIA      	Men with a history of abusing drugs or alcoholism, under treatment or exposed to
SU:HUMAN_EXCLUSION_CRITERIA      	drugs known to interfere with fertility, diagnosed with acute genital
SU:HUMAN_EXCLUSION_CRITERIA      	inflammatory disease or with systemic disease known to affect fertility before
SU:HUMAN_EXCLUSION_CRITERIA      	sperm collection, survivors of cancer treatment, or men diagnosed with
SU:HUMAN_EXCLUSION_CRITERIA      	leukocytospermia were excluded from this study. Smoking was not included as an
SU:HUMAN_EXCLUSION_CRITERIA      	exclusion criterion for this study.
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	Not applicable1	Group:Asthenozoospermia | Sample source:Pooled spermatozoa	Data file type=MSMS data file of pooled asthenozoospermia samples; RAW_FILE_NAME(Raw file name)=QC_MSMS_NEG_AS.raw
SUBJECT_SAMPLE_FACTORS           	-	Not applicable2	Group:Asthenozoospermia | Sample source:Pooled spermatozoa	Data file type=MSMS data file of pooled asthenozoospermia samples; RAW_FILE_NAME(Raw file name)=QC_MSMS_POS_AS.raw
SUBJECT_SAMPLE_FACTORS           	-	N14	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N14.raw
SUBJECT_SAMPLE_FACTORS           	-	N15	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N15.raw
SUBJECT_SAMPLE_FACTORS           	-	N17	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N17.raw
SUBJECT_SAMPLE_FACTORS           	-	N26	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N26.raw
SUBJECT_SAMPLE_FACTORS           	-	N27	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N27.raw
SUBJECT_SAMPLE_FACTORS           	-	N28	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N28.raw
SUBJECT_SAMPLE_FACTORS           	-	N29	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N29.raw
SUBJECT_SAMPLE_FACTORS           	-	N3	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N3.raw
SUBJECT_SAMPLE_FACTORS           	-	N34	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N34.raw
SUBJECT_SAMPLE_FACTORS           	-	N4	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N4.raw
SUBJECT_SAMPLE_FACTORS           	-	N43	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N43.raw
SUBJECT_SAMPLE_FACTORS           	-	N44	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N44.raw
SUBJECT_SAMPLE_FACTORS           	-	N49	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N49.raw
SUBJECT_SAMPLE_FACTORS           	-	N53	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N53.raw
SUBJECT_SAMPLE_FACTORS           	-	N54	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N54.raw
SUBJECT_SAMPLE_FACTORS           	-	N56	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N56.raw
SUBJECT_SAMPLE_FACTORS           	-	N58	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N58.raw
SUBJECT_SAMPLE_FACTORS           	-	N64	Group:Asthenozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N64.raw
SUBJECT_SAMPLE_FACTORS           	-	Not applicable3	Group:Normozoospermia | Sample source:Pooled spermatozoa	Data file type=MSMS data file of pooled normozoospermia samples; RAW_FILE_NAME(Raw file name)=QC_MSMS_NEG_NZ.raw
SUBJECT_SAMPLE_FACTORS           	-	Not applicable4	Group:Normozoospermia | Sample source:Pooled spermatozoa	Data file type=MSMS data file of pooled normozoospermia samples; RAW_FILE_NAME(Raw file name)=QC_MSMS_POS_NZ.raw
SUBJECT_SAMPLE_FACTORS           	-	N10	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N10.raw
SUBJECT_SAMPLE_FACTORS           	-	N11	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N11.raw
SUBJECT_SAMPLE_FACTORS           	-	N12	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N12.raw
SUBJECT_SAMPLE_FACTORS           	-	N13	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N13.raw
SUBJECT_SAMPLE_FACTORS           	-	N16	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N16.raw
SUBJECT_SAMPLE_FACTORS           	-	N18	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N18.raw
SUBJECT_SAMPLE_FACTORS           	-	N19	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N19.raw
SUBJECT_SAMPLE_FACTORS           	-	N2	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N2.raw
SUBJECT_SAMPLE_FACTORS           	-	N20	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N20.raw
SUBJECT_SAMPLE_FACTORS           	-	N21	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N21.raw
SUBJECT_SAMPLE_FACTORS           	-	N23	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N23.raw
SUBJECT_SAMPLE_FACTORS           	-	N24	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N24.raw
SUBJECT_SAMPLE_FACTORS           	-	N25	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N25.raw
SUBJECT_SAMPLE_FACTORS           	-	N30	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N30.raw
SUBJECT_SAMPLE_FACTORS           	-	N35	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N35.raw
SUBJECT_SAMPLE_FACTORS           	-	N37	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N37.raw
SUBJECT_SAMPLE_FACTORS           	-	N38	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N38.raw
SUBJECT_SAMPLE_FACTORS           	-	N41	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N41.raw
SUBJECT_SAMPLE_FACTORS           	-	N42	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N42.raw
SUBJECT_SAMPLE_FACTORS           	-	N45	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N45.raw
SUBJECT_SAMPLE_FACTORS           	-	N46	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N46.raw
SUBJECT_SAMPLE_FACTORS           	-	N47	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N47.raw
SUBJECT_SAMPLE_FACTORS           	-	N48	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N48.raw
SUBJECT_SAMPLE_FACTORS           	-	N5	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N5.raw
SUBJECT_SAMPLE_FACTORS           	-	N50	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N50.raw
SUBJECT_SAMPLE_FACTORS           	-	N51	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N51.raw
SUBJECT_SAMPLE_FACTORS           	-	N52	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N52.raw
SUBJECT_SAMPLE_FACTORS           	-	N57	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N57.raw
SUBJECT_SAMPLE_FACTORS           	-	N59	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N59.raw
SUBJECT_SAMPLE_FACTORS           	-	N6	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N6.raw
SUBJECT_SAMPLE_FACTORS           	-	N60	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N60.raw
SUBJECT_SAMPLE_FACTORS           	-	N61	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N61.raw
SUBJECT_SAMPLE_FACTORS           	-	N62	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N62.raw
SUBJECT_SAMPLE_FACTORS           	-	N68	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N68.raw
SUBJECT_SAMPLE_FACTORS           	-	N69	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N69.raw
SUBJECT_SAMPLE_FACTORS           	-	N7	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N7.raw
SUBJECT_SAMPLE_FACTORS           	-	N70	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N70.raw
SUBJECT_SAMPLE_FACTORS           	-	N8	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N8.raw
SUBJECT_SAMPLE_FACTORS           	-	N9	Group:Normozoospermia | Sample source:Spermatozoa	Data file type=MS data file; RAW_FILE_NAME(Raw file name)=N9.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Human seminal samples were obtained through masturbation into a specific sterile
CO:COLLECTION_SUMMARY            	container after 2 to 4 days of sexual abstinence. After collection, samples were
CO:COLLECTION_SUMMARY            	left at 37°C until complete liquefaction and sperm parameters (semen pH,
CO:COLLECTION_SUMMARY            	ejaculate volume, sperm concentration, sperm count and sperm motility) were
CO:COLLECTION_SUMMARY            	analyzed according to the WHO guidelines 5. After routine semen analysis,
CO:COLLECTION_SUMMARY            	spermatozoa were separated from the seminal fluid through centrifugation at
CO:COLLECTION_SUMMARY            	500.g for 5 min. Pelleted spermatozoa were washed two times with phosphate
CO:COLLECTION_SUMMARY            	buffer saline (PBS) before being stored at -80°C.
CO:SAMPLE_TYPE                   	Spermatozoa
CO:STORAGE_CONDITIONS            	-80℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Participants enrolled in this study were randomly recruited among men who
TR:TREATMENT_SUMMARY             	attended fertility consultations at the Centre for Reproductive Genetics
TR:TREATMENT_SUMMARY             	Professor Alberto Barros (Porto, Portugal) and the Centro Hospitalar
TR:TREATMENT_SUMMARY             	Universitário de Santo António (Porto, Portugal) from March to June 2021.
TR:TREATMENT_SUMMARY             	Adult men (age ≥ 18 years) diagnosed with asthenozoospermia (AS, sperm total
TR:TREATMENT_SUMMARY             	motility < 42%) were recruited for AS group and men with normal sperm
TR:TREATMENT_SUMMARY             	parameters (sperm concentration ≥ 15 million cells/mL, sperm count ≥ 39
TR:TREATMENT_SUMMARY             	million cells and sperm total motility ≥ 42%) were recruited for the control
TR:TREATMENT_SUMMARY             	group (normozoospermia (NZ) group).
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Pellets containing 20 million spermatozoa were resuspended in 500 µL of
SP:SAMPLEPREP_SUMMARY            	ice-cold methanol/water (4:1, v/v) solution and subjected to ultrasonic
SP:SAMPLEPREP_SUMMARY            	homogenization in a Vibra Cell sonicator (Sonics & Materials, Inc.) for 2.5 min
SP:SAMPLEPREP_SUMMARY            	at 4°C, with 5 s ON - 5 s OFF intervals with 20% amplitude using a ¼” probe.
SP:SAMPLEPREP_SUMMARY            	Samples were then incubated at -20°C for 30 min to allow protein precipitation,
SP:SAMPLEPREP_SUMMARY            	and centrifuged at 14000.g for 30 min at 4°C. After centrifugation,
SP:SAMPLEPREP_SUMMARY            	supernatants were collected into a new 1.5 mL centrifuge tube, dried in SpeedVac
SP:SAMPLEPREP_SUMMARY            	Plus SC 210A (Thermo Savant, NY, USA), and stored at -20°C before LC-MS
SP:SAMPLEPREP_SUMMARY            	analysis.
#CHROMATOGRAPHY
CH:INSTRUMENT_NAME               	Thermo Dionex Ultimate 3000
CH:COLUMN_NAME                   	Ascentis Si HPLC Pore column (15 cm x 1 mm, 3µm), Sigma-Aldrich
CH:COLUMN_TEMPERATURE            	40°C
CH:FLOW_GRADIENT                 	100% of B was held in isocratic mode for 1 min (t = 0-1 min); then it was
CH:FLOW_GRADIENT                 	linearly decreased to 50% of B within 14 min (t = 15 min); 50% of B was held in
CH:FLOW_GRADIENT                 	isocratic mode for 5 min (t = 20 min); finally, returned to 100% of B in t =
CH:FLOW_GRADIENT                 	20.01 which was held in isocratic mode for 10 min (t = 30 min).
CH:FLOW_RATE                     	200µL/min
CH:INTERNAL_STANDARD             	LeuTyr, 0.05 µg
CH:SOLVENT_A                     	2.5% acetonitrile/2.5% methanol/95% water; 5 mM ammonium formate; 0.1% formic
CH:SOLVENT_A                     	acid
CH:SOLVENT_B                     	90% acetonitrile/10% water; 5 mM ammonium formate; 0.1% formic acid
CH:CHROMATOGRAPHY_TYPE           	HILIC
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:SOFTWARE_VERSION              	Xcalibur V 3.06
AN:DATA_FORMAT                   	.raw
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive HF hybrid Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:MS_COMMENTS                   	Spermatozoa metabolite content was analyzed by HPLC-ESI-MS and HPLC-ESI-MS/MS
MS:MS_COMMENTS                   	using a hydrophilic interaction liquid chromatography (HILIC) column, on an
MS:MS_COMMENTS                   	UltiMate 3000 UHPLC system (Thermo Scientific, Germering, Germany) coupled to a
MS:MS_COMMENTS                   	Q-Exactive HF hybrid quadrupole-Orbitrap mass spectrometer (Thermo Fisher,
MS:MS_COMMENTS                   	Scientific, Bremen, Germany). The metabolite extracts were resuspended in 47.5
MS:MS_COMMENTS                   	µL of ice-cold methanol/water (4:1, v/v) solution and 2.5 µL of internal
MS:MS_COMMENTS                   	standard (LeuTyr, 0.05 µg). Three quality control samples were prepared: NZ
MS:MS_COMMENTS                   	quality control, containing 5 µL of each NZ sample (n = 39); AS quality
MS:MS_COMMENTS                   	control, containing 5 µL of each AS sample (n = 18); and Total quality control,
MS:MS_COMMENTS                   	containing 160 µL of the NZ quality control and 45 µL of the AS quality
MS:MS_COMMENTS                   	control. Five µL of each sample were injected into the HPLC column (Ascentis Si
MS:MS_COMMENTS                   	HPLC Pore column, 15 cm x 1 mm, 3µm, Sigma-Aldrich), with a flow rate of
MS:MS_COMMENTS                   	200µL/min, at 40°C. One injection per biological sample was performed for the
MS:MS_COMMENTS                   	full scan MS run, and quality control samples were used for the MS/MS
MS:MS_COMMENTS                   	experiments. The mass spectrometer was simultaneously operated in positive
MS:MS_COMMENTS                   	(electrospray voltage of 3.2 kV) and negative (electrospray voltage of 2.9 kV)
MS:MS_COMMENTS                   	ionization modes, with a capillary temperature of 320 °C, sheath gas (nitrogen)
MS:MS_COMMENTS                   	flow of 35 units and auxiliary gas flow of 3 units. Data acquisition was
MS:MS_COMMENTS                   	performed in full scan mode with a high resolution of 70 000, automatic gain
MS:MS_COMMENTS                   	control (AGC) target of 1 x 106 and scan range of m/z 65 – 900. Data-dependent
MS:MS_COMMENTS                   	MS/MS was acquired for the 10 most abundant species with a resolution of 17 500,
MS:MS_COMMENTS                   	AGC target of 1 x 105, dynamic exclusion of 30 s and intensity threshold of 1 x
MS:MS_COMMENTS                   	104. Cycles consisted of one full scan MS followed by 10 data-dependent MS/MS
MS:MS_COMMENTS                   	scans. Collision energies of 20, 30 and 40 were used in both positive and
MS:MS_COMMENTS                   	negative modes. Data acquisition and processing were performed using the
MS:MS_COMMENTS                   	Xcalibur data system (V 3.06, Thermo Fisher Scientific, Waltham, MA, USA).
MS:MS_COMMENTS                   	Metabolites were identified using the Mass Spectrometry-Data Independent
MS:MS_COMMENTS                   	Analysis Software V 4.60 (MS-DIAL) 25 and integrated using the MZmine V 2.53
MS:MS_COMMENTS                   	software 26. LC-MS lipidomics data were normalized by dividing the area of the
MS:MS_COMMENTS                   	ion corresponding to the molecular species by the sum of the areas of all
MS:MS_COMMENTS                   	quantified species, and metabolomics data were normalized by dividing the area
MS:MS_COMMENTS                   	of the internal standard.LC-MS metabolomics and lipidomics data were
MS:MS_COMMENTS                   	log-transformed and EigenMS was used to normalize data.
MS:ION_MODE                      	POSITIVE
MS:CAPILLARY_TEMPERATURE         	320 °C
MS:CAPILLARY_VOLTAGE             	3.2 kV
MS:COLLISION_ENERGY              	20, 30 and 40
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	normalized areas
MS_METABOLITE_DATA_START
Samples	N14	N15	N17	N26	N27	N28	N29	N3	N34	N4	N43	N44	N49	N53	N54	N56	N58	N64	N10	N11	N12	N13	N16	N18	N19	N2	N20	N21	N23	N24	N25	N30	N35	N37	N38	N41	N42	N45	N46	N47	N48	N5	N50	N51	N52	N57	N59	N6	N60	N61	N62	N68	N69	N7	N70	N8	N9
Factors	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Asthenozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	Group:Normozoospermia | Sample source:Spermatozoa	
1-Aminocyclopropanecarboxylic acid	1.4080	1.2783	1.3126	1.3920	1.3127	1.2717	1.3136	1.3321	1.5122	1.5911	1.4131	1.3736	1.2343	1.3233	1.1229	1.2682	1.2955	1.1075	1.1822	1.4098	1.2418	1.4331	1.3876	1.3513	1.2141	1.4695	1.3556	1.4676	1.4025	1.3092	1.3261	1.3088	1.4201	1.6156	1.3642	1.1646	1.2968	1.3764	1.4523	1.3902	1.1636	1.4799	1.1866	1.3001	1.0511	1.3857	1.2872	1.5654	1.4851	1.3730	1.4283	1.3632	1.3131	1.3750	1.2588	1.5206	1.4108
1-Methylnicotinamide	1.1384	0.6526	0.6347	0.5851	0.4530	0.8511	0.6865	0.5689	0.6413	0.9573	1.1439	0.6849	0.3881	0.7555	0.7903	0.4856	0.4593	0.4571	0.5404	0.6055	0.4900	0.4176	0.7932	1.2015	0.3109	0.9812	0.6165	0.2886	0.9478	0.7579	0.8588	0.5162	0.9726	0.7014	0.5712	0.3767	0.4072	0.6396	0.6291	0.8399	0.6919	0.4880	1.0220	0.7432	0.5486	0.7806	0.8237	0.5768	0.6352	0.6485	0.7644	0.5948	0.7076	0.3966	0.7857	0.9760	0.3718
2-Aminoadipic acid	0.8985	0.6539	0.5618	0.5385	0.5759	0.3361	0.6014	0.3650	0.8808	0.5632	0.1211	0.3236	0.6368	0.4629	0.3223	0.6968	0.0530	0.5733	0.4003	0.3244	0.2832	0.5000	0.5394	0.5074	0.3446	0.4761	0.5257	0.3929	0.3407	0.5726	0.2964	0.2051	0.4977	0.4546	0.2589	0.3874	0.2109	0.3393	0.3419	0.4660	0.3616	0.5918	0.7811	0.3974	0.4585	0.3473	0.5579	0.6937	0.4359	0.7331	0.4147	0.4319	0.0680	0.5775	0.2528	0.5936	0.3300
2-Furoylglycine	0.2504	0.5812	0.4640	0.0624	0.2924	0.2017	-0.0783	0.4539	-0.1005	0.6827	-1.1441	0.3031	0.1930	0.7777	0.3990	0.6455	0.5802	0.7037	0.3574	0.6860	0.3043	0.6405	0.7110	0.7061	0.1855	0.5374	0.4382	0.0762	0.7088	0.7195	0.5380	0.7619	0.1871	0.7929	0.6731	0.4342	0.5375	0.5600	0.6410	0.0541	0.5065	0.3518	0.1744	0.6216	0.7862	0.7261	0.7151	0.4753	0.4391	0.5051	-0.1034	0.7897	0.5373	0.2408	0.5146	0.3691	0.4752
3-Hydroxyanthranilic acid	1.0149	0.9962	0.8932	0.7115	0.9061	0.8552	1.1287	0.7108	0.4471	0.5904	0.8050	0.7734	0.7953	0.8505	1.1246	0.9002	0.9359	0.8965	1.0878	1.0835	0.9097	0.7679	0.7947	1.4557	1.0538	0.6875	0.8150	0.9043	1.0346	1.2214	0.7978	1.0756	1.1848	1.1485	1.1982	0.9246	0.9947	1.4537	1.4931	1.0144	0.7887	1.3178	0.8006	1.0674	1.1277	0.8026	0.8647	1.0715	1.2925	1.0677	0.7751	0.9300	1.5988	0.9628	1.5436	0.8902	1.0071
3-Methylhistidine	0.1373	0.7747	0.2624	0.2782	0.5366	0.9982	0.3214	0.2188	1.1578	0.7267	1.0078	0.2516	0.4748	0.4887	0.5560	1.0610	-0.8504	0.8474	0.5739	0.1421	-0.1730	0.4685	0.1816	0.5976	0.5159	0.2059	0.2000	0.8691	-0.0829	-0.0839	0.7794	-0.1419	0.4018	0.2263	0.0202	0.5465	-0.0611	0.3749	-0.8597	0.5168	1.0628	-0.4418	0.9126	-0.6021	-0.0670	0.1932	-0.3166	0.0161	-0.3232	-0.0411	0.4275	0.7746	-0.3290	-1.0494	0.7015	0.3955	0.2996
4-Acetamidobutanoic acid	1.2611	1.0614	1.1266	1.2168	1.2206	1.0965	1.0334	0.8222	1.1920	1.0544	1.0254	1.1352	1.0270	1.0920	1.1699	1.0956	0.8935	1.1559	0.8567	0.9475	1.2465	1.0135	1.1196	1.4388	1.0360	0.9864	1.0117	1.0557	1.0590	1.0665	0.9405	1.0648	1.2341	0.8789	1.0705	0.9756	1.1994	0.9592	0.9234	1.0507	1.1609	1.2461	1.3848	1.3473	1.1706	1.0716	0.9792	0.9800	1.0973	1.1278	1.0250	1.1796	1.1973	1.1295	0.9979	1.0321	1.4040
4-Guanidinobutanoic acid	1.0769	1.3564	1.2227	1.2651	1.3438	1.0687	1.4399	1.5245	1.3208	1.7526	1.5145	1.2434	1.1174	1.2413	1.0593	1.4477	1.1962	1.2660	1.5284	1.5467	1.4903	1.5091	1.5607	1.7670	1.4611	1.7309	1.2308	1.4782	1.7417	1.6807	1.5237	1.5574	1.5971	2.0763	1.5419	1.3233	1.6281	1.7267	1.8112	1.6245	1.6329	1.9787	1.2865	1.2127	0.8803	1.1388	1.2258	1.6915	1.9421	1.5549	1.7269	1.3730	1.3242	1.5112	1.3510	1.5407	1.4999
Acetylcholine	2.1767	2.6462	2.6816	2.5185	2.3057	2.1997	3.1398	2.7706	2.3914	2.6103	2.5024	2.5619	2.2346	1.9417	2.5570	2.7867	2.4550	2.6554	2.5681	2.7657	2.7249	2.7017	2.5695	2.6717	2.8316	2.6332	2.3866	2.7246	2.7362	2.6480	2.7858	2.5534	2.7664	2.5399	2.5535	2.6050	2.5504	2.7191	2.7006	2.9922	2.3015	3.0730	2.7269	2.5632	2.3068	2.8734	2.9053	2.5238	2.4659	2.4592	2.8043	2.2300	2.6817	2.8716	2.7851	2.8613	2.8864
Adenine	2.2312	2.1830	2.5587	1.3683	2.7442	1.5224	2.3025	2.4392	2.1253	1.9946	1.5814	2.1570	1.4644	1.6545	1.6808	2.2688	1.8226	2.8483	1.9499	2.0947	1.8642	2.1259	1.5901	1.7475	2.4084	2.1688	2.0388	2.6000	1.8871	2.3836	1.5522	2.0519	1.6422	1.5429	1.9951	2.5291	1.2194	1.3696	2.3365	2.4518	1.4966	2.1807	2.2563	2.0486	1.6163	1.9614	1.9975	1.7897	2.2504	2.2238	1.9450	1.7875	1.4544	1.9576	3.0373	2.7358	1.5493
Adenosine	1.7200	1.9920	1.9185	1.8508	2.0617	1.9858	2.0690	1.7341	2.1422	1.6923	2.1040	2.3551	1.7114	2.1122	2.3491	1.8530	1.9230	1.9132	2.0481	1.6673	1.8873	1.5010	1.5714	1.9464	2.0403	1.6785	1.8485	1.9236	1.7397	1.6050	1.7046	1.7930	1.4009	1.0291	1.3401	1.6719	1.1774	1.2887	2.1149	1.7618	1.9590	1.8150	1.8237	2.2778	1.8622	1.9216	2.0774	1.7718	1.4372	1.9190	1.7583	1.6116	1.3155	1.7204	1.7183	2.3043	1.4929
Alanylisoleucine	-1.3957	-1.4666	-1.8621	-2.2530	-2.5757	-1.1287	-1.5333	-1.9541	-2.3485	-0.1683	-2.7003	-2.3229	-1.4627	-1.3306	-1.2288	-1.6915	-3.2020	-1.3815	-1.7532	-1.9478	-1.7466	0.1535	-1.7381	-1.2135	-2.2525	-0.7793	-1.8818	-1.3645	-1.2382	-2.9854	-0.4100	-0.7057	-1.1103	-3.0242	-2.4442	-2.1707	-2.3601	-2.6120	-2.6025	-0.6655	-0.6589	-0.9534	-1.5361	-2.6170	-0.8717	-1.3791	-3.0281	-1.2212	-1.4873	-1.5426	-0.9788	-1.2669	-2.7702	-1.1958	-1.3542	-1.0228	-0.5550
Alanylvaline	0.0622	-0.0077	0.0948	0.1489	0.0968	0.4629	0.8744	0.4896	0.0741	1.2083	0.4590	0.3934	0.3266	0.1770	0.4119	0.0411	-0.4301	1.0629	0.4533	0.3862	0.9099	1.1014	0.6908	0.7538	0.8370	0.7749	0.4558	-0.8978	0.8089	0.1445	0.6144	0.8740	0.7276	0.0222	-0.1637	0.4063	0.5300	0.3804	-0.0296	0.7369	0.9769	0.3826	0.3605	0.1910	1.1868	-0.2456	-0.1533	0.6997	0.8355	0.3825	0.8809	0.8103	0.5668	0.6590	0.5688	0.3760	0.5923
Ascorbic acid	0.0549	-0.0854	0.1819	-0.4608	-0.0623	-0.3486	-0.7504	-0.1320	-0.5542	-0.2275	-0.4713	0.0776	-0.2975	-0.0075	0.0357	-0.3061	0.1236	0.2528	0.1121	0.1462	-0.1513	-0.6071	-0.2211	-0.1186	-0.1149	-0.1008	0.0728	-0.0588	-0.1951	0.1775	-0.0953	0.7230	-0.6561	-0.3906	0.0060	-0.2266	-0.5092	-0.2779	-0.4241	-0.4244	-0.1556	-0.1539	0.4584	0.3028	0.3814	-0.4012	-0.0625	0.0002	-0.2974	-0.2320	-0.1247	0.0305	0.1332	-0.1759	-0.0883	-0.1787	-0.0234
beta-D-Allose	2.7670	2.4496	2.6231	2.7507	2.8692	2.8256	2.2731	2.2977	2.8201	2.7590	2.7114	2.5119	2.4602	2.5659	2.7519	2.1341	2.9253	2.3555	2.3535	2.4397	2.4660	1.9959	2.6952	2.8886	2.8612	2.0735	2.4807	2.4469	1.9207	2.2973	2.0961	2.6292	2.0961	1.4554	2.5488	1.6026	2.5380	2.4676	2.3563	2.2798	2.6042	2.1863	2.7104	2.7131	2.6614	2.5342	2.1399	2.5909	2.5849	2.5576	2.1341	2.6960	2.9922	2.6272	2.4841	2.3418	2.1848
Betaine aldehyde	2.1544	1.8948	1.9664	1.8698	1.3379	2.2693	2.5072	2.4423	1.1818	2.1565	2.2609	2.3197	1.5461	2.2484	2.3463	2.1276	2.1234	1.8924	2.0527	2.3071	2.2795	1.5821	1.7622	2.5142	2.2887	1.9101	1.9705	1.8801	2.2584	2.1354	2.6076	2.3621	2.1945	1.7796	1.9978	2.3439	1.9664	2.1578	2.1600	1.9707	1.6439	2.1640	1.9933	2.3006	2.0171	2.3296	2.0437	2.3558	1.6920	2.3050	2.3698	1.9941	1.9531	2.2856	2.0938	1.7496	2.1678
Cadaverine	1.0714	1.1747	1.1015	1.2130	1.1761	1.4028	1.1594	1.1211	1.3400	1.5081	1.2943	1.1204	1.2227	0.9626	1.0528	1.2596	1.1718	1.0069	1.3881	1.1538	1.3538	1.4659	1.2866	1.5537	1.1883	1.3106	1.1697	1.1045	1.1562	1.3426	1.2228	1.0140	1.2543	1.4390	1.0557	0.9658	1.0896	1.1823	1.1257	1.5372	1.2953	1.2099	1.4306	1.1758	1.0663	1.4735	1.3202	1.2610	1.2521	1.2848	1.2933	1.2464	1.2736	1.2055	1.2400	1.1028	1.2343
CAR 12:0	-1.0066	-1.0808	-1.0236	-0.4979	-0.5140	-0.9864	-0.8587	-0.5631	-0.4255		-0.8067	-1.1421	-0.2486	-1.1353	-0.5265	-1.3078	-0.2728	0.2281	-1.1915	-0.5779	-0.9786	-0.6041	-0.9186	-0.8212	-1.3708	-1.5627	-0.8113	-1.2931	-0.8254	-1.1697	-0.7952	-1.0124	-1.5237	-0.8397	-0.3823	-0.9899	-0.9172	-0.5719	-0.2782	-0.5855	-0.9098	-0.5118	-0.7973	-0.6466	-0.9354	-1.0131		-0.7031	-1.6657	-0.9793	-0.8238	-0.7240	-1.2808	-0.6612	-0.6253	-1.0978	-1.0095
CAR 14:0	-0.5236	-0.4188	-0.3174	0.1244	0.2066	-0.3375	-0.1091	0.1361	-0.3083		-0.5329	-0.5915	0.1249	-0.0076	-0.0726	-1.0308	0.3868	0.5843	-0.4075	0.0552	-0.2894	-0.2728	-0.2297	-0.0799	-0.8568	-0.6565	-0.1138	-0.8481	-0.1185	-0.3322	-0.1614	-0.3833	-0.7850	-0.0275	0.2723	-0.4711	-0.1699	0.0607	0.4054	-0.0403	-0.0815	0.4394	0.1067	-0.2705	-0.1245	-0.4135		0.5416	-0.8474	-0.3194	-0.2903	-0.1818	-0.6731	0.1632	0.0499	-0.4030	-0.3119
CAR 14:1	-1.6758	-1.0847	-1.0931	-1.8439	-0.4456	-1.7236	-0.4565	-1.1984	-0.4157		-1.5582	-1.5091	-0.6271	-1.0852	-1.1185	-2.1768	-0.5173	0.0233	-1.1941	-0.4990	-0.8227	-1.0204	-0.8433	-0.4760	-1.9044	-1.4002	-0.6221	-0.8660	-0.2349	-1.5721	-0.4484	-1.7881	-1.4490	-0.7861	-0.3933	-1.3783	-0.6017	-0.6759	-0.5457	-0.8339	-0.7010	-0.7801	-0.7478	-0.7029	-1.2284	-1.0003		-0.6582	-1.5050	-0.7908	-0.8576	-0.3777	-1.4211	-0.4602	-0.6910	-1.2403	-0.6167
CAR 16:0	0.3399	0.0734	0.4006	0.7819	0.7412	0.2154	0.5716	0.5344	0.4732		0.3693	0.1767	0.6902	0.5510	0.5699	0.1831	0.5286	1.1943	0.2791	0.5721	0.4628	0.5656	0.2342	0.2554	0.2942	-0.0625	0.3383	0.2120	0.6242	-0.0102	0.2684	0.0979	0.0853	-0.0319	0.4882	0.1345	0.5685	0.4972	0.6597	0.6947	0.3519	0.7777	0.2630	0.4036	0.5555	0.2241		0.7338	0.0189	0.3218	0.4723	0.5186	-0.0166	0.3555	0.4176	0.2239	0.0964
CAR 16:1	-1.2090	-0.6990	-0.5968	-0.5274	-0.5589	-0.8617	-0.5672	-1.0057	-0.3121		-0.8976	-1.0715	-0.2872	-0.5793	-1.0908	-1.3542	-0.2810	0.0867	-1.1555	-0.6156	-0.9033	-0.9169	-0.8308	-0.6810	-1.5588	-1.4340	-1.1094	-1.0359	-0.6646	-1.4071	-0.6603	-1.3240	-1.0069	-1.1507	-0.5987	-1.5493	-0.8033	-0.7089	-0.7570	-0.5651	-0.4007	-0.4798	-1.0177	-0.7335	-1.2555	-0.9002		-0.5822	-1.3929	-0.7933	-0.8103	-0.7461	-1.9020	-0.6894	-0.6703	-1.3054	-1.1210
CAR 18:0	0.1947	-0.4093	0.0302	0.4526	0.3439	-0.2272	0.1305	0.1453	0.2274		-0.0053	-0.0464	0.4055	-0.0908	0.4925	-0.2308	0.2872	0.7079	0.0044	0.2633	0.2139	0.2790	-0.2011	0.1326	0.1481	-0.2613	0.1523	-0.1672	0.1938	0.2646	-0.2062	-0.1147	-0.1070	-0.1282	0.1911	0.0493	0.3768	0.4897	0.2566	0.1832	0.0085	0.6569	0.0390	0.0717	0.0590	-0.1059		0.3745	-0.2904	0.0717	0.3046	0.0396	-0.1308	0.3169	0.3559	-0.1954	0.0235
CAR 18:1	0.1031	0.0898	0.4906	0.5701	0.5299	0.2121	0.3012	-0.2443	0.3429		0.1031	-0.1292	0.5907	0.4296	0.0124	-0.1818	0.4764	0.9771	-0.0748	0.3143	0.2845	0.2914	-0.0650	0.2792	-0.1152	-0.1306	0.0793	0.1031	0.4383	-0.5609	-0.0039	-0.2073	0.1016	-0.5959	0.3062	-0.2427	0.2289	0.2343	-0.0234	0.2293	0.3880	0.4643	-0.2395	0.2518	0.0749	0.0402		0.4296	-0.0643	0.0184	0.2761	0.4564	-0.2734	0.3147	0.2594	-0.2144	-0.2191
CAR 18:2	-1.0664	-1.1633	-0.5916	-0.5544	-0.4345	-0.9301	-0.9049	-1.2302	-0.7977		-1.2217	-1.5211	-0.4594	-0.8979	-1.1164	-2.1838	-0.5295	0.1277	-1.2556	-0.8417	-0.8267	-0.8165	-1.1712	-0.9402	-1.3531	-1.3488	-1.0813	-1.1296	-0.7452	-1.9244	-1.0692	-1.4914	-1.1607	-1.2885	-0.7251	-1.5797	-0.7310	-0.6159	-1.1634	-0.9824	-0.6559	-0.3792	-1.1798	-0.9793	-1.0655	-1.2282		-0.7396	-1.3109	-0.8808	-0.7634	-0.6035	-1.5043	-0.7930	-0.8311	-1.3782	-1.3226
CAR 20:1	-0.7280	-0.8023	-0.4163	-0.2811	-0.5099	-0.7910	-0.5279	-0.7465	-0.7343		-0.7691	-0.6818	-0.3620	-0.4487	-0.6684	-0.9879	-0.3498	-0.0013	-0.8152	-0.4293	-0.5326	-0.7520	-1.0482	-0.4824	-0.7516	-1.0267	-0.7457	-0.8409	-0.4581	-0.5840	-0.9088	-0.9775	-0.7414	-1.0888	-0.5267	-0.9151	-0.6103	-0.3876	-0.6967	-0.7414	-0.6317	-0.1203	-1.0299	-0.5008	-0.8761	-0.9010		-0.3957	-0.9313	-0.6625	-0.5319	-0.6356	-1.0691	-0.3329	-0.3372	-1.0310	-0.9124
CAR 20:3	-1.0157	-1.0932	-0.9129	-0.7120	-0.4771	-1.2135	-0.5778	-1.3580	-0.7708		-1.5670	-1.7635	-0.2677	-1.4771	-0.6170	-1.9226	-0.4935	-0.0116	-0.8395	-0.8639	-0.7294	-1.0270	-1.3041	-0.2042	-1.1329	-1.4267	-0.8065	-1.2350	-0.6847	-1.3310	-1.4459	-1.4800	-0.8432	-1.4747	-0.5964	-1.1321	-0.6977	-0.8055	-1.1722	-1.1641	-0.6374	-0.1788	-0.7451	-0.7489	-1.0147	-1.3815		-0.4270	-1.4040	-0.5324	-0.9040	-0.7937	-1.3228	-0.4374	-0.4431	-1.7534	-0.9398
CAR 20:4	-1.6273	-1.6774	-1.5686	-1.5279	-1.3215	-2.4276	-1.3428	-2.5294	-0.8798		-2.0119	-2.8325	-0.5614	-2.6568	-1.4847	-2.3567	-0.9063	-0.7470	-1.9157	-1.7562	-1.5832	-1.8159	-1.6923	-1.0989	-2.3237	-2.5169	-1.8448	-2.0536	-1.1555	-1.8767	-1.8592	-2.4812	-1.4082	-2.5874	-1.4403	-1.6544	-1.4914	-2.3858	-1.6330	-2.2193	-1.4531	-0.8296	-1.7450	-1.5803	-1.8172	-1.8388		-0.8122	-3.1868	-1.8626	-1.5053	-1.0972	-1.8721	-0.8585	-0.9790	-2.4064	-1.7663
CAR 22:6	-0.6105	-0.4751	-0.2942	-0.0781	0.0232	-0.4224	-0.0819	-0.4116	0.1109		-0.3525	-0.8066	0.4388	-0.6687	-0.1778	-1.2588	0.2109	0.7290	-0.6773	-0.3353	-0.4946	-0.4202	-0.5214	0.0338	-0.8515	-0.9707	-0.4522	-0.8524	-0.3203	-0.6465	-0.6825	-0.8404	-0.7920	-0.4750	-0.1344	-0.5630	-0.2460	-0.0688	-0.5174	-0.6035	-0.3218	-0.0886	-0.1960	-0.1075	-0.7934	-0.6392		-0.2274	-0.7478	-0.3734	-0.3661	-0.0627	-1.1309	-0.0052	-0.1336	-0.6657	-0.2768
CAR 24:1	-1.1800	-1.2163	-1.2150	-1.3702	-1.2229	-1.3336	-0.7594	-1.3068	-1.3041		-1.2643	-1.2744	-0.8627	-1.5986	-0.9347	-1.2985	-0.9890	-1.3605	-1.4773	-1.6536	-1.5465	-1.4701	-1.3308	-0.8723	-1.1621	-1.3122	-1.0718	-1.5734	-1.1282	-1.5108	-1.3427	-1.5093	-1.7421	-1.5799	-1.3012	-1.1763	-1.2338	-1.4344	-1.5789	-1.7277	-1.2030	-0.9371	-1.4011	-1.3918	-1.1380	-1.3620		-1.3555	-1.4144	-0.9465	-1.2505	-1.4662	-1.6590	-0.8487	-1.1437	-1.7308	-1.4285
CAR 26:1	-1.3338	-1.7052	-1.6499	-1.4543	-1.3542	-1.7832	-1.2620	-1.5823	-1.7273		-1.5755	-1.4866	-1.3581	-2.0932	-1.2969	-1.2800	-1.1630	-1.6430	-1.8437	-1.7409	-1.7404	-1.7847	-1.5180	-1.1878	-1.1666	-1.2520	-1.4051	-1.5941	-1.2049	-1.7775	-1.3626	-2.1036	-1.7444	-2.0248	-1.2310	-1.2792	-1.4287	-1.7714	-1.5820	-1.8561	-1.5032	-1.3380	-1.3822	-1.5079	-1.2858	-1.3969		-1.6879	-1.6896	-1.1406	-1.7867	-1.6395	-2.1581	-1.0957	-1.4869	-1.9244	-1.5741
CAR 28:3	-1.1965	-1.5204	-1.3832	-1.4083	-1.2663	-1.5342	-1.0344	-1.5515	-1.7863		-1.6267	-1.3320	-1.1712	-1.7898	-1.1842	-1.2648	-1.1054	-1.8230	-1.4340	-1.7453	-1.4503	-2.0695	-1.3073	-0.9710	-1.3300	-1.4845	-1.2615	-1.5394	-1.2236	-1.9033	-1.3719	-1.5323	-1.7405	-1.5753	-1.3350	-1.3601	-1.4844	-1.7547	-1.3677	-1.7398	-1.3012	-1.1391	-1.2223	-1.4271	-1.3722	-1.2847		-1.5081	-1.3448	-0.9353	-1.4354	-1.6881	-1.9732	-1.2544	-1.4799	-1.8329	-1.2896
CAR 4:0	1.0311	0.8243	1.2094	1.0891	1.2525	1.0901	0.7249	0.9657	0.6905		1.0251	0.8952	1.5970	0.8218	1.4742	0.9351	1.5691	0.8366	1.3964	0.9552	0.8998	1.0496	0.3727	0.9816	1.0375	0.9419	1.0354	0.6730	1.4012	0.8708	0.9259	1.2877	0.4899	1.7649	1.3213	1.0744	1.3085	1.2642	1.4641	1.1913	0.6462	0.6909	0.6459	1.1605	1.1303	0.9518		1.0547	0.9573	1.0458	0.7781	1.0721	0.9582	0.8064	1.3821	1.1479	0.7573
CAR 6:0	-0.9071	-1.3623	-1.1190	-0.9174	-1.1419	-0.8251	-1.3339	-0.9229	-0.9736		-0.6913	-1.3020	-0.4919	-1.4182	-0.9352	-0.9809	-0.9169	-0.6335	-0.8306	-1.0481	-1.1300	-0.6861	-1.1855	-1.0150	-1.2556	-1.1673	-1.2231	-1.1732	-0.5996	-1.2542	-0.9179	-0.8981	-1.3801	-0.6506	-0.6640	-1.3547	-0.7578	-0.8362	-0.7096	-0.7088	-0.9531	-1.0969	-1.1274	-0.9291	-0.7626	-1.0840		-0.8555	-1.1581	-1.3394	-1.1151	-0.8966	-1.2061	-1.0319	-0.8649	-1.0883	-1.2825
Carnosine	0.8575	0.7426	0.5929	0.7063	0.3505	1.3640	1.2808	0.8310	0.8520	1.7835	0.7396	0.6559	0.7573	0.8668	1.1452	1.5847	0.4700	1.3566	1.1352	1.1818	1.4978	1.8370	1.8298	1.1982	1.7375	1.8837	1.0248	1.4506	1.0038	1.0971	1.9500	0.8153	1.8476	0.3815	0.5478	0.7501	1.1187	1.2352	1.3570	1.5916	1.2070	1.1124	0.9890	0.2736	1.3925	0.9562	0.6474	1.4236	0.8771	0.8789	1.5493	1.1937	0.7138	1.4828	1.4368	1.3374	1.2562
Cer 32:1;2O	0.1905	0.1097	0.1631	0.1643	0.1975	-0.0468	0.1335	0.0804	0.3196		0.1165	0.1189	0.2480	-0.0100	0.1627	0.2482	0.1768	-0.0976	-0.2123	-0.1267	-0.1633	-0.0463	0.2514	0.0832	0.1055	0.2170	-0.1364	0.0067	0.0137	-0.0208	0.1014	-0.1534	-0.0276	-0.0770	0.1907	0.1204	-0.1268	-0.1260	-0.0085	-0.0717	-0.0990	-0.3269	-0.1987	0.1108	-0.0135	0.0380		-0.0452	0.0054	-0.0681	0.0049	0.2494	-0.0994	0.1810	0.1585	-0.0342	-0.0646
Cer 34:1;2O	0.9477	0.9863	0.8653	0.8830	0.9403	0.8598	0.6135	0.7475	1.0491		0.5882	0.7063	0.8790	0.6828	0.9228	0.9014	0.9855	0.7291	0.7112	0.6304	0.6488	0.8898	1.0945	0.9324	0.9716	1.1238	0.7442	0.9510	0.8568	1.0086	0.6905	0.7603	0.9446	0.6201	0.9789	0.8948	0.8311	0.6894	0.9008	0.6364	0.8726	0.5676	0.6227	0.9392	0.8529	0.8148		1.0542	0.9770	0.7014	0.6783	1.2245	0.9221	1.1711	0.9657	0.8666	0.8609
Cer 34:2;2O	0.4251	0.3632	0.2547	0.5102	0.5644	0.2768	0.3387	0.5251	0.6787		0.6768	0.5029	0.4834	0.3129	0.5397	0.7079	0.2510	0.1334	0.1298	0.2947	0.3274	0.2536	0.6760	0.2889	0.5415	0.2192	0.1389	0.0787	0.3410	0.3006	0.5144	0.2515	0.1470	0.4726	0.5283	0.3529	0.1890	0.1897	0.3808	0.4216	0.1222	-0.0226	0.3608	0.4530	0.1825	0.3021		0.1450	0.5812	0.2667	0.3165	0.3556	0.0946	0.4233	0.5124	0.3396	0.2876
Cer 36:1;2O	-0.3191	-0.2318	-0.5465	-0.3865	-0.2865	-0.2148	-0.6708	-0.2990	-0.4762		-0.6788	-0.7807	-0.5516	-0.4485	-0.2976	-0.5015	-0.3267	-0.3394	-0.2862	-0.4822	-0.5850	-0.3538	-0.2542	-0.2823	-0.2342	-0.0527	-0.3512	-0.2150	-0.2685	-0.1759	-0.6899	-0.4012	-0.0576	-0.4710	-0.2464	-0.4439	-0.2713	-0.3755	-0.3008	-0.6238	-0.2902	-0.3203	-0.5303	-0.2772	-0.3159	-0.5734		-0.1680	-0.2133	-0.6976	-0.8412	-0.0817	-0.0966	0.1386	-0.3533	-0.2634	-0.2769
Cer 36:2;2O	0.1998	0.1112	-0.0258	0.3245	0.2665	-0.1860	0.1629	0.3693	0.3415		0.3190	0.0687	0.2558	0.1029	0.2881	0.1583	0.0188	-0.1414	-0.1110	0.1278	0.0934	0.0854	0.1600	0.0150	0.1539	-0.1762	-0.1135	-0.2741	0.1587	-0.0934	0.2122	0.0471	-0.0494	0.2064	0.1183	-0.0222	-0.0087	0.0188	0.0637	0.0884	-0.1543	-0.1296	0.1364	0.0678	-0.1776	-0.0360		-0.1826	0.3151	0.0846	0.1241	-0.0329	-0.0305	0.2258	0.1474	0.1080	-0.0504
Cer 38:2;2O	-0.3540	-0.4878	-0.8270	-0.2782	-0.2176	-0.6779	-0.7053	-0.3649	-0.1554		-0.4410	-0.4510	-0.1630	-0.5443	-0.2409	-0.3532	-0.3548	-0.8295	-0.6558	-0.6231	-0.4315	-0.4676	-0.3058	-0.5040	-0.4939	-0.4781	-0.4188	-0.6391	-0.3498	-0.5876	-0.4861	-0.5188	-0.5373	-0.6275	-0.3943	-0.4522	-0.4130	-0.7769	-0.3995	-0.4486	-0.6452	-0.8845	-0.5835	-0.3724	-0.7928	-0.6427		-0.5602	-0.1540	-0.5920	-0.4798	-0.5451	-0.6990	-0.1558	-0.3315	-0.4559	-0.6460
Cer 40:2;2O	-0.3748	-0.3262	-0.6532	-0.2900	-0.1653	-0.4813	-0.6658	-0.3953	-0.2351		-0.6207	-0.4816	-0.2804	-0.4571	-0.1152	-0.4088	-0.3590	-0.6060	-0.5460	-0.5300	-0.4533	-0.3179	-0.2577	-0.3734	-0.3491	-0.3711	-0.3496	-0.4816	-0.3253	-0.4070	-0.5039	-0.4195	-0.3448	-0.4468	-0.3651	-0.3217	-0.2588	-0.5599	-0.3370	-0.5452	-0.4196	-0.6277	-0.5079	-0.3406	-0.6098	-0.5232		-0.3436	-0.1224	-0.5072	-0.6433	-0.3599	-0.3658	-0.0337	-0.2851	-0.3368	-0.4195
Cer 42:2;2O	-0.0258	0.0933	-0.1437	-0.0990	0.1241	0.2766	-0.3467	-0.0316	-0.0652		-0.4608	-0.2659	-0.1874	-0.0500	0.1772	-0.1542	-0.0949	-0.1212	0.0307	-0.0353	-0.1221	0.1371	0.1142	0.2714	0.1585	0.0740	0.0191	0.1303	0.0510	0.1022	-0.2666	0.0350	0.3143	0.0236	-0.0498	-0.0995	0.1139	-0.0657	0.1136	-0.2734	0.1634	0.1807	-0.0886	0.0304	0.1100	-0.2182		0.2216	0.2072	-0.0891	-0.4204	0.2504	0.3529	0.5412	0.0540	-0.0555	0.0836
Cer 42:3;2O	-0.0436	0.0487	-0.1915	-0.0073	0.2142	-0.0577	-0.1943	0.1037	-0.0350		-0.2485	-0.0212	-0.1081	-0.0125	0.1995	-0.0371	-0.0197	-0.1004	-0.0455	0.0055	0.0224	0.0251	0.0374	0.1146	0.0747	-0.0676	-0.0482	-0.1967	0.0089	0.0047	-0.0393	0.0607	0.0990	0.0237	-0.1121	-0.0180	0.0930	-0.0437	0.0470	-0.2075	-0.0298	0.0622	0.0301	-0.1062	-0.0566	-0.1423		0.0152	0.1686	0.0084	-0.2405	-0.0316	0.1421	0.2140	0.0507	-0.0304	-0.0470
Cer 44:3;2O	-0.8488	-0.8559	-1.1150	-0.7920	-0.6738	-0.9824	-1.6985	-0.9193	-1.2469		-1.4819	-1.0235	-1.2191	-1.1164	-0.3004	-1.0456	-0.7396	-1.3776	-0.7858	-1.1649	-0.4859	-1.7758	-1.0515	-1.1428	-1.2195	-0.7973	-0.5376	-0.7689	-0.7258	-0.8527	-0.9112	-1.0332	-0.6500	-0.7839	-0.5100	-0.8812	-0.2933	-1.3142	-0.7074	-1.3376	-1.1300	-0.6263	-0.6883	-0.6300	-1.9469	-1.1079		-0.8846	-0.8066	-0.9249	-1.2848	-1.3092	-1.1876	-0.5382	-0.7495	-0.8172	-0.5312
Cer 46:5;2O	-0.0921	-0.0229	-0.3687	-0.1462	-0.0538	-0.1123	-0.2782	-0.1953	-0.1206		-0.2985	-0.1488	-0.1280	-0.1267	0.0813	-0.1151	-0.2722	-0.3089	-0.2250	-0.1903	0.0344	0.0105	-0.0067	-0.0529	-0.0569	-0.2726	-0.0897	-0.2276	-0.1890	-0.2037	-0.1247	0.0487	-0.0142	0.0251	-0.3205	-0.1642	-0.0660	-0.1243	0.0426	-0.2532	-0.1863	-0.1035	-0.3144	-0.3138	-0.1280	-0.2809		-0.0938	0.0213	-0.1026	-0.1791	-0.0560	-0.0718	0.1657	-0.0285	-0.0758	-0.2435
Choline	4.3499	3.7872	4.0284	4.1264	3.3199	4.4506	2.5650	3.4575	5.1603	3.6400	4.3172	3.5589	3.4888	3.7676	4.5523	2.6751	2.7928	5.0150	3.4492	4.0099	4.1524	4.2499	4.2051	4.1491	2.2362	4.0007	2.9716	3.3022	3.8135	4.2207	4.3807	2.6063	3.8310	4.8058	3.8847	3.4343	3.6386	3.7116	3.2523	3.7243	4.1657	3.8527	3.7552	4.1177	2.6492	4.3524	2.6089	3.8820	2.7608	3.6117	5.3813	4.9247	2.7995	3.8943	4.0675	3.5263	3.4249
cis-Aconitic acid	2.1476	2.0032	1.9825	2.0794	2.0664	2.2452	2.3010	2.5125	2.9576	3.0699	2.7782	2.6411	2.8065	1.6252	2.4150	1.6330	2.5429	2.6366	1.9798	1.8542	1.6146	2.3513	2.3115	2.1554	2.2737	2.5807	2.1769	1.5897	3.1726	2.1066	2.3153	2.3950	0.7850	2.0191	1.7172	1.9658	2.6023	2.6359	2.4036	2.4898	2.9242	2.0460	2.7495	2.4301	2.7769	1.1121	2.4298	2.3352	2.0797	2.3944	1.7119	1.2140	1.5732	1.8380	1.7245	2.2172	2.5139
Citramalic acid	0.6117	0.8035	0.7915	0.5961	0.6055	0.5496	0.3397	0.8793	0.9174	0.6646	0.4728	0.6944	0.4315	0.7846	0.4728	0.5652	0.8415	0.6783	0.7270	0.8954	0.6690	0.9604	0.9868	1.2112	0.4971	1.0900	0.7589	0.7226	1.0966	1.1967	0.7552	0.8426	0.7290	1.1060	0.9886	0.3819	0.8291	0.9077	1.0437	0.8278	0.8544	0.8828	1.2029	0.7621	0.4450	0.6668	0.6687	0.9864	0.9358	0.9766	0.7202	1.0665	0.9706	0.8452	0.7247	0.7661	0.9777
Citric acid	3.9319	3.9116	3.9053	3.8579	4.0287	4.0597	3.9905	3.8466	3.9813	4.2238	4.1929	3.8350	3.8495	3.7776	3.5993	3.3913	3.6641	3.7571	3.7998	3.8050	3.6386	3.8432	4.1014	3.9655	3.7508	3.9415	3.5747	3.9617	3.7547	3.6295	3.8587	3.7520	3.8693	3.5697	3.6585	3.8354	3.6904	3.8135	3.6896	3.9276	4.2006	3.8912	3.8278	3.8565	3.7549	3.8805	3.8301	3.7317	4.1868	3.9764	4.0128	3.9860	4.0416	3.8508	3.8947	4.2853	4.0756
Citrulline	1.5631	1.7574	2.0408	1.6201	2.2457	1.4646	1.5123	1.8343	1.6487	1.7894	1.6708	1.9505	1.3936	1.8921	1.7608	1.6759	1.4625	1.8246	1.5159	1.3354	1.6934	1.6985	1.7562	1.7258	1.6314	1.5853	1.5946	1.7301	1.2741	1.5238	1.5985	1.7416	1.7349	1.5909	1.2455	1.5808	1.0164	1.3949	1.3853	1.8376	1.5430	1.7193	1.2324	1.6818	1.5327	1.6210	1.5135	1.7714	1.9109	1.7204	1.6175	1.6886	1.6844	1.4555	1.5778	1.7421	1.5377
Creatine	3.5864	3.6276	3.6380	3.5358	3.6820	3.7070	3.8193	3.5803	3.4547	3.7091	3.7159	3.6230	3.5314	3.6510	3.8049	3.6176	3.6560	3.6086	3.6616	3.6798	3.6182	3.6224	3.5842	3.7733	3.7214	3.6533	3.5321	3.7636	3.6244	3.6315	3.6871	3.6575	3.6463	3.7794	3.6136	3.7114	3.6448	3.6847	3.6914	3.6314	3.5173	3.8579	3.4078	3.8290	3.7205	3.7118	3.5182	3.6210	3.6237	3.6556	3.6104	3.6482	3.6949	3.8447	3.7344	3.6784	3.7301
Creatinine	3.3747	0.8626	2.6713	2.2170	2.3690	1.7876	3.2215	2.5591	1.8836	2.2511	2.2876	2.3891	2.4597	1.7777	2.7018	2.1189	2.3226	2.6656	2.7780	2.5750	2.8059	2.7669	2.1531	3.0561	2.4746	3.0368	1.2673	2.1096	2.8156	3.1317	2.1372	2.9140	2.2864	2.8796	2.7660	2.7563	3.1104	2.8907	3.3517	3.1943	2.3828	2.5422	3.0423	2.8313	2.2715	2.2515	2.5537	2.7474	2.4093	2.5172	2.3070	2.8741	2.7813	2.9023	2.5808	1.2522	2.7178
Cytidine	1.1629	1.4613	2.3011	1.0809	1.8052	1.2192	2.6687	1.3470	2.9280	1.5698	1.3297	1.8903	1.5650	1.5604	1.1339	1.5888	0.3921	1.3547	1.0885	0.9843	0.9770	1.3676	0.2769	1.1712	1.4576	1.3936	1.3576	1.7306	1.5981	0.4735	1.1412	0.8593	0.8586	1.4211	0.7798	2.3037	0.7004	1.1137	1.4162	2.2811	-0.2390	1.7095	1.3820	1.4996	0.5939	1.3055	1.1501	0.8305	1.2430	1.6393	1.1692	0.8821	0.3780	1.0936	1.4068	1.9213	0.8365
Cytosine	1.5565	1.4423	2.1731	1.2403	1.4462	1.3958	2.0523	1.4867	1.8850	1.7865	1.3743	2.1849	1.3252	1.6791	1.2016	1.9969	0.8626	1.7649	1.0696	0.6866	1.0165	1.7154	1.1840	1.4724	1.5983	1.8633	1.6285	1.8242	1.1056	1.7427	1.2078	2.4120	0.6098	1.6806	1.4283	2.2787	0.9175	1.1977	0.7951	2.3039	0.8133	2.2188	2.1357	1.8775	1.1659	1.7077	1.2474	0.9980	1.5267	1.3899	1.1926	1.4498	1.1037	1.1869	1.0378	1.9516	1.4186
D-Galactose	0.5568	0.4400	0.0639	0.3311	0.1546	0.2164	-0.2885	-0.2637	0.0697	0.6767	-0.7243	-0.4240	0.3476	-0.0713	0.2909	-0.8143	-0.0662	1.2242	-0.3374	0.0437	-0.1062	-0.3127	-0.4742	0.4164	-0.1014	-0.9842	0.3561	-0.0348	-0.7134	-0.7987	-0.3095	-0.7334	-0.5319	-1.6008	-1.6819	-1.1861	-1.2229	-0.2490	-0.1242	-0.6480	0.1827	-1.6676	-0.2347	-0.3657	0.1951	-0.0582	-1.1492	-0.4226	-0.3211	-0.4773	0.8581	-0.7424	0.1476	0.5339	-0.5982	-1.3353	0.3940
D-Galacturonic acid	0.6248	0.6748	0.7028	1.1404	0.0863	1.1611	1.3539	1.3614	0.6246	1.3260	1.4280	1.6844	0.9931	0.4782	0.6107	1.3732	0.9043	0.4127	0.7443	0.6323	0.5464	0.4326	0.0198	1.0408	1.2294	-0.1855	1.1134	0.5085	1.8572	0.4919	0.8785	1.3099	0.9087	0.8202	0.6157	0.5880	1.7924	0.6896	1.0580	1.6103	1.2697	0.6038	0.9345	0.9268	1.4041	0.4181	0.5727	0.4020	1.2772	0.2784	0.5222	-0.3623	1.0016	1.0205	-0.7061	0.6459	1.2530
D-(+)-Glucosamine	0.5785	0.9088	0.9165	0.6221	0.9828	0.5934	0.8070	1.1670	0.9519	1.2062	0.9543	0.7144	0.3464	0.6500	0.6284	0.5968	0.5293	1.1639	0.9865	1.0562	1.2833	1.1458	0.8279	1.3593	1.0166	1.6711	0.9817	1.0484	1.6383	0.9010	0.8071	1.3690	1.0150	0.7659	0.8562	0.5833	0.9470	1.0840	0.7743	1.0102	0.8769	1.1794	1.7034	0.8740	0.6746	0.7206	1.2675	1.1754	1.0593	0.9856	1.0787	0.8840	0.7338	1.3873	0.8085	1.2474	1.3225
Dihydroxyacetone phosphate	0.7512	1.1641	0.8168	0.7475	0.7589	0.9155	1.3959	0.9538	0.5604	1.1927	1.1027	0.6511	0.4271	0.8534	0.4479	0.8221	1.0156	-0.0454	1.1849	1.0039	0.6405	0.4330	0.4232	0.5501	0.5065	0.8564	0.5036	0.8533	0.4853	0.7501	0.4842	0.3927	0.8590	-0.3261	0.2549	0.1556	0.7963	0.7692	0.9390	0.7459	0.6355	1.1978	1.2896	0.5745	0.0559	0.6570	0.5832	-0.1377	0.7991	1.2465	1.0473	0.1959	1.0782	0.7262	0.6850	0.1820	0.3462
Dodecylbenzenesulfonic acid	1.8947	0.7708	1.6220	1.9274	1.3360	1.1497	1.1938	1.4486	0.6133	1.8702	1.3311	1.1992	1.2163	1.4349	1.5215	1.2852	1.5369	1.4494	2.1107	2.0160	2.2471	2.1123	1.3663	1.3497	1.8510	1.6668	2.2061	2.1934	1.6537	1.9776	1.7952	1.8140	2.0125	1.9559	1.5982	2.0674	1.4669	2.5988	1.7055	1.5573	1.7644	1.6133	1.2236	1.7858	1.9537	2.0593	1.8008	1.9149	2.0787	2.2490	1.9164	1.3692	1.9864	1.7383	2.1243	1.5816	1.9016
D-Ribose	1.7013	1.4893	1.5500	1.4707	1.6611	1.3574	1.3621	1.4410	1.6515	1.4718	1.4572	1.3947	1.3252	1.4633	1.4909	1.3916	1.5131	1.2516	1.2854	1.3505	1.4497	1.2843	1.5231	1.7188	1.6507	1.2383	1.3173	1.4108	1.2609	1.5471	1.3077	1.3590	1.4197	1.4367	1.3623	1.0530	1.5582	1.4432	1.3165	1.4313	1.3976	1.3109	1.8895	1.8599	1.3228	1.3447	1.3886	1.3703	1.4754	1.6032	1.2793	1.4000	1.6084	1.5695	1.5157	1.4346	1.3917
D-Ribose 5-Phosphate	1.0163	1.1529	0.8177	0.3604	0.4990	0.2100	1.1661	1.0569	0.8305	1.0135	0.8257	0.9074	0.9656	0.7601	0.9605	1.0653	1.1745	0.3584	1.3958	1.2993	1.1940	1.2097	1.1451	1.3004	1.2844	1.1038	1.2821	1.2035	1.9547	0.8779	2.3501	1.4452	1.3781	1.1559	0.7985	1.2922	1.5885	1.5385	1.6117	1.5949	1.1755	1.2371	1.6001	1.1725	0.8953	1.5025	1.4288	1.1332	1.2788	1.2752	1.5454	1.0066	1.2033	1.6248	1.0688	1.5776	1.5075
FA 18:3;3O	-1.8204	-1.6194	-3.1016	-0.8664	-1.5927	-3.4481	-2.6526	-1.5716	-2.8341		-3.6476	-1.3516	-2.0863	-1.5579	-1.2863	-2.5100	-3.6114	-2.4779	-1.1845	-2.0650	-2.1362	-2.7659	-2.8100	-1.2546	-2.7173	-1.7369	-1.3900	-2.5488	-1.7420	-1.8243	-1.3114	-2.5752	-1.5487	-1.4125	-1.1832	-3.2418	-1.5129	-3.2902	-1.1582	-3.3379	-1.5084	-1.5989	-2.0826	-0.9849	-2.0002	-2.5552		-0.4760	-1.5905	-2.2804	-2.0304	-1.4446	-1.8667	-2.4158	-0.9757	-1.2025	-1.8512
FA 20:2;4O	-2.3368	-1.9680	-1.7833	-3.6249	-1.2773	-3.4657	-1.8784	-1.9327	-2.8608		-2.5530	-2.5988	-1.4274	-2.3983	-2.1165	-3.0253	-1.7998	-2.9662	-1.3446	-1.9762	-2.2343	-1.9906	-2.4831	-1.9230	-1.7827	-1.3082	-1.7351	-1.4841	-1.0551	-0.9819	-3.1863	-0.6835	-2.7108	-1.7064	-1.2768	-1.5365	-1.3930	-1.4799	-0.8401	-1.5200	-3.0985	-3.4764	-1.7912	-1.5851	-1.9823	-1.2840		-2.0233	-1.5975	-1.7389	-1.8080	-1.3905	-1.7911	-1.8876	-1.1406	-1.2727	-1.7907
FA 20:3;3O	-2.1695	-2.5418	-2.4802	-2.7824	-2.6768	-2.4685	-2.3488	-1.8873	-2.8278		-3.6684	-2.5010	-2.5112	-2.4805	-2.2480	-2.9355	-2.7537	-3.0418	-1.5950	-2.4295	-2.0411	-2.2744	-2.0013	-1.5025	-2.7642	-1.4159	-1.7050	-2.1809	-1.8306	-1.9061	-1.7470	-2.2019	-2.5909	-1.7270	-1.2773	-3.7189	-1.3168	-3.0953	-1.6136	-3.0918	-1.4902	-1.4131	-2.1951	-1.3864	-1.7726	-2.7627		-1.3230	-1.8001	-2.1799	-1.9770	-1.2774	-2.1362	-1.8065	-1.0467	-1.1859	-1.8333
FA 20:3;4O	-1.7631	-0.1948	-1.5715	-1.4765	-1.1326	-1.8224	-2.3196	-1.7181	-2.1029		-1.9606	-2.1095	-2.2892	-1.2892	-1.7432	-1.9863	-1.0479	-1.5416	-1.8622	-1.7849	-2.0163	-1.7656	-1.3926	-1.7841	-1.9551	-1.8899	-2.7643	-1.7762	-1.8062	-1.8858	-1.9848	-1.5249	-2.6975	-1.2707	-2.6762	-2.5891	-1.7217	-1.2842	-1.2719	-2.7923	-1.8326	-2.6130	-2.1599	-2.0879	-1.5741	-1.8908		-1.0887	-1.7790	-1.7210	-1.7994	-1.0902	-1.1803	-1.7198	-1.1177	-3.0045	-2.5077
FA 20:4	-1.7672	-1.9223	-1.9189	-2.0249	-2.2773	-2.1669	-1.9370	-1.9407	-2.2852		-2.0440	-2.3811	-2.5789	-2.1728	-1.8813	-1.5302	-2.4607	-2.0454	-2.7902	-2.1720	-2.3131	-2.4672	-2.2817	-2.0610	-2.2233	-2.5553	-2.0417	-2.3326	-2.8490	-1.7870	-2.3452	-2.5688	-1.4402	-2.3474	-2.7412	-1.9270	-1.9553	-2.9016	-1.9692	-1.8693	-3.0431	-1.6654	-1.9812	-2.3958	-2.5602	-2.4962		-3.0915	-2.6013	-1.8417	-2.0949	-2.3405	-2.5481	-2.3210	-3.1906	-2.3319	-2.4253
FA 20:4;2O	-1.5335	-1.7056	-1.7120	-1.4545	-1.1688	-2.6533	-2.3782	-1.2838	-2.0662		-2.3017	-1.7553	-2.6978	-1.4484	-1.5585	-1.8393	-2.4955	-1.7184	-1.7913	-2.5622	-1.4761	-2.1287	-1.7456	-1.6666	-2.2133	-1.5802	-1.9065	-2.0938	-1.8267	-1.3798	-1.6976	-2.3204	-1.5757	-1.9181	-1.6863	-2.9345	-1.4079	-2.2941	-2.0931	-2.4057	-1.6323	-1.3341	-1.6878	-1.7110	-1.8555	-2.3800		-1.6732	-1.6287	-2.0881	-1.5550	-1.3881	-2.3754	-1.7143	-1.3419	-1.2462	-1.9076
FA 20:4;3O	-0.5394	-0.6634	-0.6732	-0.4719	-0.0356	-0.9631	-0.9474	-0.4115	-0.8272		-0.9037	-0.7158	-0.4957	-0.6988	-0.3778	-0.7947	-0.6398	-0.8135	-0.3701	-0.8595	-0.7357	-0.7936	-0.8834	-0.4522	-0.7589	-0.2547	-0.5021	-0.5901	-0.7469	-0.6718	-0.5635	-0.4734	-0.2695	-0.6040	-0.3546	-0.6359	-0.3143	-0.8623	-0.3933	-0.8411	-0.7738	-0.3682	-0.8911	-0.5108	-0.4344	-0.7683		-0.4997	-0.6899	-0.8998	-0.6375	-0.2847	-0.7228	-0.5606	-0.4852	-0.1879	-0.5938
FA 20:4;4O	-0.5036	-0.1666	-0.0827	-0.4319	0.0460	-0.5143	-0.8218	-0.3496	-1.2853		-1.0962	-0.4228	0.2385	-0.3542	-0.2708	-0.7742	0.0097	-0.7440	0.1573	-0.0814	-0.6043	-0.6853	-0.5843	-0.2957	-0.2128	0.1051	-0.0743	-0.2808	-0.3721	-0.1753	-0.2771	0.4327	-0.6235	-0.0333	0.0493	-0.2897	-0.4223	-0.3049	0.1801	-0.2546	-0.5828	-0.0478	-0.5509	-0.0255	0.1632	-0.1857		-0.5356	-0.3504	-0.5106	-0.3212	-0.0559	-0.2594	-0.2118	0.1540	-0.1462	-0.7798
FA 20:4;O	-1.0045	-0.8117	-0.9832	-0.8071	-1.0600	-1.0703	-1.1842	-0.8961	-1.0338		-0.9680	-0.9848	-1.0884	-0.9114	-1.1694	-0.9404	-1.1845	-0.5213	-1.0131	-1.1115	-1.0950	-1.0590	-0.7314	-0.9021	-0.7607	-1.0287	-1.1288	-1.1978	-1.1889	-0.2593	-1.1233	-1.1326	-0.9506	-0.9072	-1.2656	-1.1060	-1.0779	-0.9557	-0.9664	-0.9034	-0.7167	-1.0474	-0.7844	-1.1170	-0.5469	-1.1472		-0.7842	-0.7701	-1.1491	-1.0489	-0.8730	-0.9331	-1.3634	-1.0177	-1.1629	-1.2512
FA 20:5;2O	-1.2740	-1.6727	-1.4364	-0.9983	-0.8171	-1.9220	-1.9371	-0.7812	-2.7147		-2.4126	-1.1006	-1.7337	-1.0662	-0.9724	-1.3970	-1.9563	-1.3432	-1.4137	-1.8521	-1.1092	-1.8137	-1.5236	-1.2838	-1.6537	-1.1457	-1.6272	-1.6005	-1.1554	-1.5543	-1.0465	-1.6215	-1.1220	-1.2383	-1.1890	-1.8732	-0.9317	-2.0442	-1.2454	-1.9386	-1.2822	-0.8726	-1.5880	-1.2640	-1.1347	-1.9464		-0.7139	-1.4520	-1.7334	-1.2108	-1.1345	-2.0964	-1.3258	-0.7814	-0.8593	-1.4848
FA 20:5;3O	-0.5085	-0.2413	-0.3464	-0.3975	0.0246	-0.4527	-0.4897	-0.1227	-0.5500		-0.6864	-0.4818	-0.0607	-0.5041	-0.1672	-0.3689	-0.2675	-0.5483	-0.0011	-0.2525	-0.4221	-0.4071	-0.5824	-0.2973	-0.2476	-0.1174	-0.1265	-0.1953	-0.6597	-0.2671	-0.3486	-0.1186	-0.0020	-0.1097	-0.2689	-0.3271	-0.0990	-0.5145	0.0352	-0.4622	-0.8202	-0.1183	-0.5276	-0.2720	-0.2483	-0.4416		-0.6214	-0.4442	-0.4160	-0.2222	0.0614	-0.3039	-0.3355	-0.1091	-0.1544	-0.4501
FA 3:0	-0.7028	-0.7332	-0.7526	-0.8466	-0.6403	-0.8422	-0.9193	-1.2990	-0.7013		-0.7311	-1.0131	-0.8734	-1.0735	-0.9855	-0.7817	-1.1762	-0.7543	-1.0320	-1.0375	-0.9141	-0.8939	-0.9048	-1.0321	-0.5067	-1.2347	-1.0762	-0.9922	-1.1282	-0.8505	-1.0906	-1.2300	-0.6736	-0.9187	-1.1962	-0.8676	-1.2328	-0.7624	-1.0000	-0.9358	-0.4295	-1.2383	-0.8379	-0.9384	-0.6346	-1.0672		-0.9488	-0.3768	-0.9813	-0.8686	-1.0002	-0.7520	-1.2032	-1.2005	-1.4419	-0.7599
Fructose 1-phosphate	1.3062	1.2029	1.1141	1.3312	1.2512	1.1933	1.2219	1.2287	1.0080	1.4464	1.0346	1.2461	0.8115	1.3978	1.2867	1.1802	1.4282	0.3390	1.0127	1.1796	0.9918	0.7041	1.4208	1.4782	1.1789	0.9568	0.9012	1.1290	0.7980	1.2617	1.0637	0.7412	0.9924	0.1121	0.9280	0.4199	1.1755	1.3098	1.0214	1.3073	1.0969	1.2415	1.5033	1.5764	1.2159	1.1847	0.9982	0.3842	1.3580	1.3202	1.1751	0.6538	1.4952	1.3626	1.0361	0.6267	0.7762
GABA	2.4031	2.2589	2.2863	2.3235	2.1489	2.4426	3.0208	2.3252	2.3671	2.7908	2.2905	2.7020	2.5717	2.5645	2.1297	2.7426	2.1867	2.7055	2.3407	2.6182	2.5963	2.4937	2.9069	2.7628	2.6365	2.6282	2.4131	2.5687	2.7469	2.2634	2.9108	2.4086	2.7351	2.6388	2.2664	2.2369	2.5785	2.4710	2.4300	2.6764	2.4181	2.6632	2.5688	2.5045	1.8884	2.8040	2.6682	2.4185	2.3731	2.4074	2.4089	2.3776	2.2219	2.6316	2.4823	2.6641	2.8120
Gamma-Glutamylleucine	0.7523	0.5550	0.5014	0.5910	0.6261	0.3694	0.3672	0.4473	0.3779	0.5777	0.6920	0.5272	0.4597	0.5767	0.0946	0.2601	0.5770	0.4799	0.4119	0.5167	0.6287	0.3734	0.2077	0.2532	0.4509	0.4237	0.7483	0.7081	0.7854	0.3938	0.3331	0.5972	0.6762	0.7238	0.6124	0.5446	0.5459	0.7545	0.6078	0.4750	0.3983	0.2728	0.2546	0.5066	0.5383	0.6563	0.6613	0.6277	0.6465	0.3288	0.4670	0.6643	0.5844	0.5095	0.4446	0.5571	0.4744
gamma-Glutamyl-L-glutamic Acid	0.0673	0.2873	0.6866	0.4096	1.0498	0.5239	0.2172	0.0445	0.7276	0.1255	0.3697	0.4955	0.6284	0.5398	0.5225	0.3768	0.9531	1.0439	0.5144	0.2344	0.1910	0.4866	0.4937	-0.0568	0.3528	0.4039	0.5745	0.4045	0.0362	0.0732	0.4091	0.1345	-0.8095	0.4491	0.3355	0.9582	0.3429	0.5319	0.5917	-0.1292	0.6280	-0.6644	-1.0567	1.1990	1.0777	0.8672	0.4408	0.4181	0.5917	-0.2182	0.2140	0.5720	0.5065	0.7467	0.8024	0.3488	0.5409
Gamma-Glutamylmethionine	-0.3046	0.0283	0.0595	-0.3663	-0.0439	-0.3160	-0.4676	-0.3875	-0.3065	-0.1519	-0.2661	-0.3776	-0.2633	-0.3697	-0.8198	-1.2635	-0.9438	0.4886	0.1465	0.0243	-0.0787	0.1122	0.2761	0.2380	-0.4136	-0.5135	-0.2551	-0.9227	-0.4160	0.3737	-0.2069	-0.0482	0.0134	0.3169	-0.4153	0.1060	-0.5135	1.0702	-0.0322	0.1135	1.4013	-0.2169	-0.6600	-0.3025	-0.7428	-0.1745	-1.0180	-0.1401	1.3018	0.3872	0.5998	0.8778	1.1994	-0.3854	-0.1847	-0.5317	0.0391
Gamma-Glutamyltyrosine	0.6655	0.6144	0.6436	0.5087	0.6595	0.3605	0.4463	0.5049	-0.0398	0.2464	0.8321	0.7605	0.7596	0.5315	0.4702	0.1810	1.0140	0.5630	0.6508	0.6004	0.6345	0.1292	0.1863	0.3613	0.5087	0.3067	0.7393	0.8401	0.9081	0.7928	0.2272	0.9919	-0.3022	0.3183	0.7737	0.8657	0.6039	0.8019	0.7814	0.4330	0.6277	0.1782	0.5957	0.9564	0.6758	0.9070	0.7984	0.8239	0.8372	0.3689	0.4560	0.7624	0.8985	0.6107	0.7852	0.3961	0.5735
Gluconic acid	2.4205	1.9244	1.9802	2.1384	1.6193	1.6826	1.6094	1.6178	1.9617	1.9551	1.8498	1.8317	1.7011	2.7303	2.0259	1.4675	1.9765	1.6337	1.4604	1.3841	1.6234	1.6672	1.9290	1.8573	1.5965	1.6103	1.8501	1.5711	1.6501	1.7636	2.0822	1.5928	1.5453	1.9702	1.5228	1.4120	1.6948	1.5676	1.4824	1.7108	1.8346	1.4395	2.2727	2.4682	1.5134	1.7020	2.0162	1.4530	1.4211	1.9575	1.7698	1.7030	1.4260	1.8440	1.6764	1.1138	1.9235
Glucosamine 6-phosphate	1.2333	0.6883	1.4556	1.2483	1.2634	0.9076	0.9171	1.0259	1.0275	0.8811	1.2028	1.3101	0.9892	1.5428	1.2220	1.1557	1.3106	1.3193	0.9760	1.0994	1.0279	1.0011	0.8304	1.3670	1.1339	0.7902	1.2364	1.2121	1.0788	1.4776	1.0063	1.1484	0.6007	0.6524	1.2281	1.4093	1.0325	0.8885	1.0783	0.9961	0.8176	1.5331	1.0211	1.3466	1.3319	0.9727	1.3725	1.3033	0.9344	1.1675	0.9981	1.0836	1.1707	1.1046	1.4196	1.0334	1.0301
Glutamylthreonine	0.5331	1.1969	1.4143	0.6886	1.3363	1.2020	0.8067	1.4625	0.8530	1.5325	0.7511	1.2703	1.1397	1.8583	1.6570	1.5932	1.4771	0.1204	1.3274	1.7326	1.2930	1.6890	1.4619	1.7132	1.4553	1.5567	1.7041	1.2909	1.6994	1.3563	1.7353	1.6885	1.0996	1.4498	1.5146	1.1009	1.3664	1.3658	1.5753	0.9407	1.3193	1.1856	1.5540	1.3337	0.4631	1.7046	1.6584	1.0801	1.4978	1.7170	1.2442	1.9619	1.6062	1.4208	1.4528	0.5948	1.2876
Glyceraldehyde	3.0286	2.7171	2.6726	2.7897	2.7924	2.5297	2.7341	2.5876	3.5950	2.6324	2.6522	2.7757	3.4195	2.3979	2.9745	2.6033	2.7101	2.8068	2.6709	2.6418	2.7819	2.9125	2.8003	2.8773	2.7845	2.4693	2.6556	2.3852	2.6374	2.7379	2.9653	2.4548	2.6398	2.3894	2.6365	2.5979	2.8353	3.0256	2.8009	2.8204	2.7123	2.7073	3.0563	2.7321	2.6465	2.6044	2.8648	2.8985	2.8558	2.9272	2.7284	2.7506	2.8466	2.6288	2.3363	2.8455	2.7299
Glyceric acid	1.6009	1.3046	1.0956	1.0956	0.6769	0.9624	1.4930	1.3269	1.4547	1.1986	1.4104	1.2097	1.1063	0.7371	0.5541	0.8962	0.7599	0.6437	0.5960	0.7488	1.2899	0.9669	0.8352	0.3300	1.1361	0.9648	1.0956	1.3907	0.4914	1.0916	1.3961	0.6209	1.1432	1.1863	0.7578	1.0110	0.9991	0.6249	0.5891	1.2616	0.8713	0.6819	1.8933	1.1660	0.5167	0.9862	1.2555	0.7100	0.9037	1.2082	1.3128	0.8232	0.4436	1.4827	0.4430	0.4703	1.3517
Glycerol 3-phosphate	0.7659	1.3635	1.1974	0.8350	1.3539	0.4507	1.2489	0.8102	0.9151	1.3591	0.4744	0.6191	0.2321	0.9008	0.3948	0.6330	0.4571	0.9712	0.9510	0.3409	0.5304	0.6551	0.0990	0.1878	0.3858	1.2752	0.4313	0.5054	-0.0429	0.7485	0.2521	0.2771	0.6236	0.7757	0.1203	0.8179	-0.2039	0.6793	0.0442	0.7350	0.5384	1.1643	0.4785	0.6911	0.3787	0.7060	0.7339	-0.2804	1.0165	0.8924	0.4830	0.3687	0.6357	0.1996	-0.0231	0.2494	0.7710
Glycerophosphocholine	4.0158	3.4093	3.9437	3.9202	3.7424	3.9370	4.1939	4.1438	3.7503	4.0048	4.1523	4.0530	3.9813	3.9415	3.9052	3.9127	3.8692	3.9584	3.7019	4.0235	3.9380	3.9437	4.1345	4.1773	3.9407	3.8757	3.9366	4.0203	4.1841	3.8677	4.1184	3.9779	3.9843	3.9814	3.8153	3.8709	3.8812	4.1785	3.8755	4.1204	3.9854	4.0465	3.9820	3.8885	3.5450	4.0617	4.0489	3.8442	3.7184	3.9551	3.9535	3.7133	3.8889	4.1313	3.8830	3.9669	3.9789
Glycylleucine	0.4896	1.0159	0.9851	0.9580	1.1452	1.1954	1.2689	0.9602	0.9323	1.7187	1.1276	1.1334	1.0638	1.1068	1.4582	0.6939	0.5878	1.4902	1.3247	1.2304	1.5585	1.8305	1.3505	1.5079	1.3406	1.3771	1.3479	1.3829	1.3198	0.9411	1.3092	1.4054	1.2972	0.7779	0.6681	1.1867	1.2637	1.1333	1.0021	1.3945	1.4803	1.2984	1.2510	0.8675	1.5964	0.9651	0.9761	1.1591	1.2488	1.2101	1.4857	1.3121	1.2365	1.2300	1.2550	1.1944	1.3158
Glycyl-L-Proline	-0.1534	-0.0634	-0.3385	-0.1989	0.1250	0.0763	0.0280	-0.1356	-0.1700	0.4833	-0.0774	0.1880	0.1577	0.1947	0.1387	0.5304	-0.8160	0.6861	0.3392	0.4474	0.6510	0.6182	0.5864	0.6394	0.4831	0.7002	0.4157	0.5207	0.6694	0.2438	0.5625	0.2938	0.5731	-1.2652	-0.1989	0.1275	0.1485	0.4460	0.4766	0.4659	0.4822	0.7060	0.1478	-0.5239	0.5539	-0.0883	-0.1290	0.6476	0.6431	0.2593	0.6915	0.1857	0.3183	0.2578	0.4396	0.4082	0.1932
Glycylvaline	-0.6001	-0.7819	-1.0128	-0.4378	-0.4313	0.1748	-0.7384	-0.9701	0.0257	-0.4622	-0.3116	-0.1735	-0.6778	-0.3240	-0.5487	-0.2870	-1.4576	-0.5293	0.0894	0.1600	-0.6540	-0.2708	-0.4261	0.2899	0.0680	0.1435	-0.0053	0.3388	-0.2474	-0.5487	-0.1034	-0.4200	-0.4083	-0.3698	-0.7107	-0.1152	-0.4753	-0.3324	-0.3353	-0.1369	0.0121	-0.0714	-0.8024	0.3455	0.8503	-0.2889	-0.5192	0.2678	-0.0587	-0.3157	0.1055	-0.5629	-0.6912	-0.0612	-0.2660	0.0733	0.2213
Guanine	1.1837	1.2957	1.5099	1.3286	0.6722	1.7315	1.8112	1.6210	1.1937	1.5634	1.2058	1.5860	1.2784	1.6686	1.6788	1.7520	1.4553	1.4915	1.7641	1.9945	1.6096	1.7358	1.5384	2.0082	1.4556	1.5063	2.2730	1.6110	1.3088	2.0440	1.8498	1.7149	1.2797	1.5403	1.5237	1.7264	1.6358	1.4553	1.7568	1.3516	1.8084	-0.0323	2.0038	1.8222	2.1395	1.4300	1.7350	1.6996	1.7012	1.3620	1.5841	1.5761	1.6693	1.6737	1.3409	1.3996	1.3694
Guanosine	0.4907	0.9474	0.9463	1.0011	0.4583	1.3349	1.6379	1.1002	1.0105	1.1980	0.5405	1.0191	1.1635	1.4248	1.2887	0.8898	0.6622	0.7540	1.3205	1.4623	1.1852	1.1040	1.1368	1.6260	0.8178	1.2777	1.0291	1.0225	1.2935	0.5934	1.4687	1.4626	0.9416	0.8861	1.0781	1.0529	1.2311	1.2354	1.2920	1.2689	1.3975	1.4309	0.9760	1.2930	1.2733	1.2727	0.9701	1.1450	1.2176	1.3027	1.2651	0.9645	1.1027	1.3137	0.5509	0.9959	1.2904
Hex2Cer 34:1;2O	-0.9990	-0.9228	-1.1976	-1.1347	-0.7438	-0.7528	-0.9346	-1.4569	-0.7253		-1.1538	-1.4248	-0.9842	-1.1298	-1.0103	-1.3244	-1.0619	-1.0697	-0.5652	-1.0130	-0.9975	-0.9133	-1.1122	-1.1388	-0.6092	-0.7328	-0.8313	-0.7869	-0.8892	-1.6389	-1.2774	-1.1689	-0.4874	-1.1810	-1.1175	-1.3023	-1.9049	-0.5131	-0.7275	-1.3292	-0.4326	-1.6302	-1.0907	-1.0120	-0.8567	-0.8827		-0.9058	-1.1962	-0.9311	-1.0213	-0.8433	-1.1575	-0.7009	-0.8521	-0.9132	-0.6224
HexCer 34:1;2O	-1.6018	-1.9439	-1.0623	-1.1144	-0.9728	-2.1060	-1.7011	-0.8310	-1.8899		-2.0984	-0.6800	-0.8491	-2.8062	-0.5868	-2.6622	-1.7904	-2.3217	-0.5866	-2.2012	-1.9837	-1.2941	-2.1884	-2.1370	-2.2207	-1.7048	-1.3636	-1.8066	-2.4659	-1.3818	-1.7928	-1.8039	-1.5231	-1.2631	-2.5874	-1.3552	-1.9930	-2.7103	-1.4612	-2.4863	-1.2383	-2.0208	-1.8942	-1.4457	-1.3047	-1.3560		-1.8858	-1.6911	-0.7640	-1.2934	-1.4221	-2.3972	-2.6611	-1.2279	-1.2563	-1.6013
Histamine	0.7750	0.7106	0.9196	0.7582	1.3351	0.7715	0.7746	0.9187	1.1936	0.6429	1.0683	1.0975	0.8940	1.0541	0.7503	0.9643	1.1045	0.6183	1.1296	1.4878	1.2950	0.3781	1.2495	1.2021	1.2712	1.3595	1.4614	1.3175	1.7170	0.9754	1.0275	1.4538	0.8831	1.4424	1.5215	1.3319	1.1805	1.1862	1.5488	1.2561	1.1073	1.6876	0.9466	1.2201	1.2561	1.2083	1.1969	1.4689	1.3493	0.9555	1.1905	1.2189	1.2880	1.2286	1.2610	1.6248	1.0260
Hypotaurine	-1.4751	-1.5104	-2.0709	-1.3843	-2.1174	-1.5909	-1.6478	-1.7229	-1.5602	-1.6968	-1.3570	-1.6058	-1.7028	-2.5038	-1.6351	-2.0763	-0.3544	-2.1870	-1.3650	0.2282	-1.7512	-2.2040	-1.8970	-0.9441	-1.9183	-1.1258	-1.1916	-1.3664	-1.3144	-1.2991	-1.7017	-1.5338	-1.6956	-2.1384	-1.9741	-1.8761	-1.4231	-1.9936	-0.8517	-1.2731	-1.4674	-1.9034	-0.4344	-1.5873	-1.7547	-0.4989	-1.5577	-1.9053	-2.2032	-1.6302	-1.0029	-1.4420	-1.2549	-1.6034	-1.3527	-1.7591	-1.8045
Hypoxanthine	2.1846	2.1101	2.2955	2.3728	1.8871	2.0556	2.3754	2.4858	2.0341	2.2955	2.1148	2.1746	2.1379	2.1739	2.0815	2.5464	2.2241	1.9772	2.1550	2.2706	2.1878	2.1887	2.3335	2.3954	2.1301	2.2378	1.8083	2.0926	2.4429	2.1959	2.5632	2.0551	2.4253	2.6360	1.9946	2.3038	2.3073	2.3430	2.2420	2.4551	2.1362	2.3906	2.1817	2.0747	1.8835	2.3532	2.4928	2.1642	2.0920	2.1834	2.3806	1.9229	1.9656	2.4472	2.3093	2.2325	2.3288
Inosine	1.0845	1.5083	1.2186	0.8641	1.8805	0.6738	0.4735	1.2145	1.4649	1.0247	0.4038	1.4475	1.1766	1.2072	1.5942	1.3422	1.2891	1.1936	1.8730	1.8212	1.9345	2.1202	1.7849	1.9541	1.9785	1.5999	1.8772	2.3465	1.5357	1.6776	1.5971	2.5887	1.8315	1.8296	1.0588	1.4481	1.7454	1.7829	2.0660	1.8908	1.7743	2.0432	2.0892	1.9421	1.5873	1.8004	1.7425	1.6805	1.8073	1.7972	1.9512	1.6504	1.9675	1.7976	1.2191	1.9289	1.7552
L-Arginine	3.6429	3.5946	3.5417	3.6768	3.7024	3.7362	3.7475	3.6728	3.7425	4.0848	3.5057	3.7199	3.5789	3.7514	3.7101	3.8958	3.4298	3.8861	3.8388	4.0125	3.9041	3.9873	4.0287	4.0580	3.9433	4.0170	3.7748	3.8468	3.9734	3.7881	3.8975	3.7243	4.0943	3.5724	3.6604	3.5155	3.7685	3.9916	3.9903	3.9085	3.9000	3.9780	3.6686	3.4699	3.7350	3.6373	3.6878	4.0511	3.9507	3.8250	3.9584	3.7548	3.7445	3.8701	3.7928	3.8479	3.8859
L-Asparagine	2.0728	2.0761	1.2613	2.2291	1.1728	2.2521	1.9881	1.6610	2.1167	2.1488	2.1789	1.8873	2.1334	1.9814	2.0072	2.0934	2.0109	2.1985	2.2221	2.4410	2.2659	2.3680	2.4999	2.0662	2.2741	2.2930	2.3681	2.2400	2.4034	2.4955	2.4482	1.9497	2.0839	1.6069	2.2726	1.9506	2.2778	2.2704	2.6281	2.1138	2.1913	2.0990	2.2783	2.1530	2.4706	2.1496	2.2290	2.6525	1.8948	2.0390	2.1874	2.4260	2.1754	2.3448	2.2147	2.4819	2.3178
L-Aspartic acid	2.6496	2.5721	2.6268	2.6546	2.7316	2.5087	2.4265	2.5910	2.8234	2.6434	2.5654	2.6883	2.6463	2.6172	2.3593	2.5406	2.6857	2.4445	2.4494	2.6634	2.4935	2.7240	2.6884	2.6285	2.4496	2.6613	2.5910	2.6795	2.5912	2.5307	2.5729	2.6265	2.6423	2.7417	2.6717	2.5586	2.5687	2.6373	2.7584	2.6146	2.4106	2.6087	2.3474	2.6697	2.4276	2.6764	2.6456	2.8668	2.7675	2.6512	2.7168	2.6967	2.5844	2.6524	2.5736	2.7646	2.5609
L-Carnitine	4.0267	4.0514	4.2345	3.9334	4.0062	4.0894	4.2829	4.1227	4.0787	4.1590	4.3026	4.1496	4.1243	3.9398	3.9656	3.9148	4.1595	4.0571	3.9405	4.0117	4.0252	4.1822	4.1291	4.3308	3.8665	3.8271	3.9964	4.0666	4.1832	4.1131	4.3583	3.9243	4.0536	4.2587	4.0540	4.0905	4.0457	4.3609	4.1214	4.3202	4.2115	4.3192	3.9648	4.0720	3.7904	4.2896	4.1308	3.9805	3.9742	4.2184	4.1824	4.0710	4.1298	4.2398	4.1575	4.0587	4.0692
LCP 18:1	-1.3309	-0.9615	-1.0033	-1.1582	-1.2192	-0.8638	-0.8606	-1.4788	-1.2191		-0.5517	-1.1152	-1.0812	-1.1539	-1.1912	-1.1945	-0.8141	-0.7113	-1.1605	-1.4454	-1.1909	-1.0569	-1.1829	-1.2095	-1.1499	-1.5563	-1.0172	-0.9676	-1.1958	-1.5168	-1.3468	-1.0553	-1.2464	-1.1760	-1.3375	-1.2758	-1.4670	-1.1617	-1.3324	-0.8640	-0.8482	-1.3236	-1.0324	-1.0110	-1.0340	-0.9344		-1.5755	-1.2063	-1.1858	-1.6010	-1.5628	-0.9175	-1.4680	-1.1904	-1.9784	-1.1517
LCP 18:2	0.9015	1.0280	0.8883	0.9702	0.8008	1.1009	0.7791	0.6860	1.0539		1.0977	0.9871	0.9496	0.9363	0.8032	0.8629	1.0295	1.1622	0.6299	0.6394	0.8597	0.9541	0.9171	0.5739	0.8378	0.8244	0.8358	0.9639	0.5469	0.8164	0.8073	0.8380	0.7271	0.9725	0.8925	0.7239	0.6383	0.8640	0.6462	0.9651	0.8703	0.5840	0.9028	0.7944	0.7601	0.8552		0.7234	0.7907	0.5588	0.6407	0.8649	0.9368	0.6347	0.6578	0.8060	0.7794
L-Cystine	0.3845	0.2006	0.0880	0.8602	-0.2430	0.2963	0.9044	0.4479	0.5454	0.8272	0.5061	0.7150	0.4045	0.6046	0.4560	0.8536	0.4790	0.2082	0.1838	0.6504	0.2825	0.4019	0.7193	0.4675	0.8525	1.0024	0.2459	0.5330	0.4447	0.4660	1.0967	-0.2707	0.9450	0.6209	0.5665	-0.1448	0.4056	-0.1051	0.3692	0.3728	0.0706	0.5418	0.3359	0.3274	0.3474	0.5426	0.5044	0.6680	-0.5400	0.1878	0.6401	0.2348	-0.6587	0.2514	0.2700	0.6424	0.2251
L-Glutamic acid	2.8342	3.0965	2.9926	2.7907	2.9478	2.8493	2.6369	3.1502	2.7795	3.2321	2.5202	2.9636	2.8184	3.1945	2.8780	3.1608	3.1096	3.0184	2.9705	3.2015	2.9265	3.1980	3.1877	3.1169	2.8272	3.2439	3.2003	2.9182	3.2458	3.2338	3.1741	3.2494	2.9321	3.3725	3.2126	2.9049	3.1427	3.0539	3.1654	2.7813	2.9190	3.0140	2.8586	3.1578	3.0626	3.1263	3.2156	3.1233	3.1174	3.0386	2.7623	3.3527	3.0187	2.9579	3.0098	2.9034	3.0259
L-Glutamine	2.5426	2.5615	2.6530	2.6128	2.7487	2.7281	2.7371	2.6878	2.6681	2.5700	2.4979	2.8235	2.6484	2.7031	2.6115	2.9695	2.6623	2.8064	2.8625	2.9615	2.7861	2.8529	2.7192	2.9991	2.9447	2.7054	2.8878	2.8356	2.8689	2.7927	2.7224	2.7564	2.8512	2.1334	2.7377	2.8019	2.7699	2.8196	2.9803	2.7789	2.7606	2.7002	2.7893	2.7401	2.8874	2.7574	2.8778	2.8491	2.7410	2.8427	2.7460	2.8130	2.8262	2.7533	2.8052	2.7320	2.7824
L-Histidine	2.7969	2.5691	2.5828	2.6960	2.5325	2.5984	2.9641	2.2750	1.1440	2.5454	2.3700	2.1862	2.4815	2.2756	2.4968	2.6943	3.1091	2.5415	2.7693	2.6228	2.9008	2.7392	3.1781	2.7813	2.9290	2.4216	2.2684	2.8656	0.1395	3.7481	2.8873	2.0733	3.3718	2.5167	2.4435	2.6706	2.2709	2.3834	2.1618	2.0779	2.7538	2.3926	1.9011	2.7463	2.9815	2.8704	2.8846	2.8073	3.1250	2.9508	2.9402	2.6431	3.0436	2.4360	3.0959	2.0848	2.4000
L-Isoleucine	3.1953	3.1511	3.1237	3.2329	3.2869	3.0993	3.1916	3.1922	3.2768	3.3065	3.1038	3.2251	3.1525	3.2665	3.1636	3.3128	3.1449	3.2583	3.2874	3.4198	3.3287	3.4326	3.4884	3.4253	3.2377	3.4511	3.3754	3.3090	3.4177	3.3032	3.2995	3.2988	3.4721	3.1041	3.2774	3.1213	3.3618	3.4293	3.4920	3.3912	3.3060	3.3886	3.1501	3.1525	3.3456	3.2632	3.2294	3.6028	3.4011	3.2722	3.4164	3.4183	3.3545	3.2441	3.2533	3.3050	3.2733
L-Lysine	3.3265	3.3222	3.3494	2.9582	3.2203	3.0493	3.1866	3.3100	3.3513	3.5245	0.1906	3.2789	3.2875	3.5221	2.9988	3.6333	3.1912	3.3584	3.3290	3.8517	3.5635	3.7335	3.8433	3.5098	3.5591	3.4490	3.2324	3.3206	3.4163	3.3976	3.1389	3.2444	3.5234	3.3327	3.4642	2.9822	3.3125	3.5684	3.7670	3.4048	3.3384	3.3642	3.4511	2.9796	3.5587	3.8092	3.3334	3.6311	3.5803	3.5255	3.5557	3.3396	3.2385	3.3005	3.2648	3.5016	3.5898
LPA 18:4	-3.9589	-3.9960	-3.9764	-3.7539	-3.9281	-1.9894	-4.0342	-3.4170	-3.4702		-2.4817	-2.3034	-3.0243	-1.3330	-2.0068	-2.9370	-4.1354	-1.5164	-1.9679	-1.0604	-1.5186	-2.6024	-3.7053	-2.0535	-1.5654	-2.3669	-2.6684	-2.2093	-1.9466	-2.5351	-1.8881	-1.7503	-3.6281	-3.6824	-3.8464	-2.0348	-2.6030	-2.3616	-1.9839	-2.4198	-2.6613	-2.1102	-2.1380	-3.9029	-2.6747	-2.9016		-2.5365	-2.2583	-2.2749	-2.0026	-2.8665	-3.3822	-2.5295	-2.3686	-1.9408	-2.2352
LPC 14:0	-1.7650	-1.4128	-1.6704	-0.7943	-1.2117	-0.9787	-1.7841	-1.7527	-1.4447		-1.0632	-1.4624	-1.5600	-0.9343	-2.0154	-1.5432	-1.4513	-0.7413	-1.6360	-1.6899	-1.6150	-1.7778	-1.3910	-1.5514	-1.6527	-1.4501	-1.8464	-1.8954	-1.7378	-2.3684	-1.1775	-1.7119	-1.5004	-1.0393	-1.4805	-1.7150	-1.8114	-1.7827	-2.0750	-1.0411	-1.2448	-1.2601	-1.5822	-1.2805	-1.2871	-1.5762		-1.1712	-1.9358	-1.5955	-1.8761	-1.8558	-1.5825	-1.7525	-1.8595	-1.4058	-1.7453
LPC 16:0	0.5094	0.7076	0.6874	0.8210	0.7427	0.6822	0.5784	0.6778	0.6492		0.7323	0.7559	0.5942	0.7024	0.6998	0.6245	0.5910	0.7496	0.3851	0.4863	0.4492	0.4691	0.4309	0.2725	0.5217	0.4375	0.3785	0.4621	0.1644	0.5118	0.3518	0.4920	0.4693	0.6971	0.3427	0.4915	0.2562	0.5154	0.4295	0.6819	0.3068	0.3421	0.4764	0.5079	0.4132	0.4554		0.4609	0.3720	0.5504	0.2757	0.3618	0.4138	0.1985	0.3025	0.6118	0.3574
LPC 16:1	0.0350	0.2112	0.0558	0.1098	0.1598	0.0320	-0.0939	-0.2728	0.2706		0.2299	0.3022	0.1362	0.0978	-0.1703	-0.0446	0.0444	0.1710	-0.2573	-0.2812	-0.2023	-0.0246	-0.0690	-0.3194	-0.0397	-0.0353	-0.1519	-0.0371	-0.3164	-0.1659	-0.2080	-0.0181	-0.2049	0.0314	-0.1647	-0.1464	-0.3061	-0.1191	-0.1410	0.2777	-0.1279	-0.4413	-0.1859	-0.0992	-0.0835	0.0984		-0.4651	-0.1918	-0.2147	-0.1731	-0.0390	-0.1815	-0.2402	-0.0671	-0.0570	-0.2121
LPC 18:0	-0.9174	-0.7423	-0.2945	-0.2742	-1.9800	-0.3250	-0.4071	-0.9074	-0.6799		-0.5853	-0.3775	-0.8203	-0.6241	-1.1697	-1.0652	-0.5520	-0.5011	-0.8493	-1.1303	-0.8686	-0.8747	-0.6153	-0.5815	-0.7090	-1.1652	-1.0041	-0.4250	-0.9798	-0.5945	-1.0959	-0.4485	-0.9287	-0.5132	-0.6122	-0.6703	-0.6616	-0.6189	-0.6453	-0.2711	-0.6342	-0.7322	-1.2991	-0.4918	-0.6676	-0.6131		-1.8263	-1.3979	-0.5192	-0.3070	-0.6911	-0.6126	-1.2415	-0.4754	-0.6817	-0.8589
LPC 18:3	-0.2598	-0.1818	-0.3375	0.1706	0.1224	-0.0057	-1.0600	-0.5139	0.0666		-0.2112	-0.4295	-0.1970	-0.4992	-0.5689	-0.2918	-0.3155	0.0460	-0.4018	-0.3185	-0.1148	0.1377	-0.0915	1.0340	-0.1282	-0.1518	0.0654	0.4251	-0.6374	-0.2350	-1.1926	0.9607	0.7625	0.0301	-0.1283	-0.2569	-0.3143	0.1252	-0.1942	0.9546	0.2837	-0.5737	-0.3083	-0.1947	-0.0797	-0.1706		-0.2988	-0.0454	-0.2270	-0.0074	-0.0891	-0.2950	-0.4428	-0.2538	-0.1421	-0.1364
LPC 20:1	-0.8994	-0.5580	-0.8927	-0.8498	-0.9260	-0.6799	-1.1120	-0.9821	-0.5941		-0.9367	-0.7660	-0.7388	-1.0820	-1.1492	-0.9781	-0.8619	-1.0157	-1.3571	-1.3895	-1.3128	-1.1163	-1.1890	-1.4382	-1.1617	-1.0337	-1.3106	-1.0723	-1.3678	-1.2494	-1.3098	-1.2632	-1.3515	-1.1983	-1.0704	-1.0129	-1.4664	-1.0928	-1.1327	-0.9838	-1.3335	-1.6523	-1.2977	-1.1728	-1.1945	-1.0057		-1.4094	-1.1121	-1.2169	-1.4311	-0.9499	-1.2939	-1.0875	-1.3665	-1.2939	-1.2473
LPC 20:3	-0.2139	-1.5026	-0.7043	0.0768	-0.0524	-0.5304	-0.2102	-0.6626	-0.1679		0.2954	0.0765	-0.0346	0.0898	-0.5415	-0.3563	-0.4798	-0.0635	0.1279	-0.9442	-0.3197	-0.5084	-0.3274	-0.8700	-0.9917	-0.4242	0.0933	-0.5683	-0.4532	-0.6917	-0.5614	-0.4748	-0.5656	0.0247	-0.1135	-0.6785	-0.0543	-0.3054	0.0456	0.2555	-0.5285	-0.1282	-0.6473	-0.1030	-0.4261	-0.6574		-0.3538	-0.7478	-0.6709	-0.5511	-0.6877	-0.6599	-0.7684	-0.1966	-0.0872	0.0129
LPC 20:4	-0.5435	-0.3637	-0.5156	-0.3407	-0.4229	-0.6254	-0.6512	-0.9408	-0.2910		-0.5145	-0.2758	-0.7006	-0.4108	-0.9301	-0.6379	-0.7885	-0.2103	-0.6829	-0.7734	-0.7455	-0.7920	-0.7699	-0.5004	-0.5978	-0.6392	-0.5452	-0.8698	-0.4403	-0.7656	-0.5343	-1.2096	-0.5584	-0.4991	-0.6763	-0.7063	-0.3981	-0.8013	-0.6434	-0.3371	-0.7047	-0.4987	-1.1383	-0.5909	-0.2420	-0.5515		-0.7675	-0.8804	-0.4671	-0.5265	-0.4615	-0.5759	-1.1038	-0.6343	-0.5825	-0.8151
LPC 22:4	-1.1408	-1.1031	-1.2389	-1.0661	-1.3127	-1.4114	-1.2445	-1.4350	-1.2408		-1.2060	-0.9038	-1.4203	-1.1243	-1.3049	-1.0483	-1.4530	-1.1791	-1.3018	-1.7234	-1.4629	-1.4746	-1.3344	-1.1324	-1.1623	-1.3719	-1.3905	-1.3077	-1.1098	-1.5709	-1.3706	-1.3210	-1.2700	-1.3212	-1.5808	-1.2860	-1.4733	-1.4228	-1.4191	-1.2355	-1.5050	-1.2698	-2.4529	-1.2624	-1.1061	-1.2013		-1.2089	-1.3823	-1.3283	-1.3749	-1.1283	-1.1293	-1.2287	-1.3321	-1.4568	-1.2911
LPC 22:6	0.3503	0.6333	0.3378	0.3871	0.4590	0.4718	0.3823	0.2364	0.3698		0.5705	0.6840	0.4343	0.7652	0.6309	0.5513	0.3875	0.5441	0.3824	0.0396	0.2508	0.1920	0.3955	0.5910	0.4675	0.3052	0.4219	0.3438	0.4697	0.3088	0.6065	0.2908	0.3358	0.4687	0.2719	0.3306	0.3114	0.2322	0.0547	0.4362	0.4782	0.4782	-0.2431	0.4118	0.5046	0.3715		0.3162	0.5158	-0.5289	0.4703	0.3675	0.5139	0.4297	0.2129	0.3597	0.4825
LPC O-16:0	-0.2832	-0.1825	-0.2797	-0.0428	-0.2901	0.1826	0.1279	-0.1488	-0.1328		0.1629	-0.1764	-0.3614	-0.0323	0.0193	0.0938	-0.2199	0.1682	-0.3173	-0.1691	-0.1524	-0.0310	0.1093	-0.2591	-0.0770	-0.3175	-0.2671	-0.4073	-0.4446	-0.2507	-0.3478	-0.2652	-0.2031	-0.1933	-0.4719	-0.2571	-0.4757	0.0805	-0.4820	-0.3105	-0.2727	-0.2445	-0.2987	-0.2539	-0.2052	-0.2453		-0.0705	-0.1001	-0.2968	-0.1935	-0.1951	-0.1726	-0.5648	-0.2416	-0.2265	-0.3368
LPC O-16:1/ LPC P-16:0	-0.3999	-0.5851	-0.4053	-0.2444	-0.3096	-0.1186	-0.2880	-0.3819	-0.2293		-0.1342	-0.0906	-0.2910	-0.2259	-0.3254	-0.2599	-0.4334	-0.2863	-0.7935	-0.3035	-0.3416	-0.3571	-0.3726	-0.5423	-0.6124	-0.7516	-0.5441	-0.5120	-0.7933	-0.5537	-0.5802	-0.4042	-0.4417	-0.4322	-0.6362	-0.4269	-0.5774	-0.2563	-0.3079	-0.3838	-0.6535	-0.6411	-0.4853	-0.5968	-0.4992	-0.4985		-0.6044	-0.3407	-0.3876	-0.3995	-0.7087	-0.5247	-1.0219	-0.4191	-0.3350	-0.7388
LPC O-18:0	-3.0391	-1.9621	-2.1307	-1.8922	-2.5440	-1.4054	-1.0523	-1.7414	-1.9802		-1.6989	-1.4804	-2.0173	-2.0186	-2.1491	-1.2461	-2.1328	-1.1593	-1.9241	-1.5638	-1.6659	-1.4974	-1.5526	-1.3946	-1.9427	-1.8559	-1.4271	-2.3496	-2.0499	-1.3669	-2.6266	-1.8884	-1.6893	-1.9360	-2.2734	-2.1039	-1.8544	-1.0060	-3.1517	-2.3655	-1.6403	-1.8505	-1.6608	-1.8652	-1.9272	-1.8160		-1.6730	-1.6649	-1.9486	-1.9274	-1.4635	-2.2907	-3.2719	-1.9140	-1.3305	-1.8010
LPC O-18:1/ LPC P-18:0	-1.7051	-1.3083	-1.2407	-0.7605	-1.2246	-0.6019	-0.6988	-1.1856	-1.2624		-1.1139	-1.3853	-1.4781	-1.3584	-0.9725	-0.9236	-1.2455	-0.6541	-1.6267	-1.3279	-1.3526	-1.1149	-1.0856	-1.2750	-1.2861	-1.4322	-0.9509	-1.3793	-1.6478	-1.3526	-2.7926	-1.4301	-1.2632	-1.5864	-2.0184	-1.4347	-1.7084	-0.7049	-1.9944	-1.0904	-1.1294	-1.2859	-1.5563	-1.3117	-1.5501	-1.2800		-1.0518	-1.3191	-1.1798	-1.4554	-1.7204	-1.6598	-1.6099	-1.7405	-1.9550	-1.3260
LPC O-18:2/ LPC P-18:1	-1.3978	-1.5421	-1.5067	-1.2659	-1.0253	-1.2150	-1.2746	-1.4196	-1.2745		-1.1292	-1.0978	-1.4132	-1.2502	-1.2060	-1.3115	-1.2585	-1.2236	-1.8242	-1.3947	-1.4000	-1.4787	-1.6470	-1.7993	-1.7857	-2.2974	-1.5459	-1.6163	-1.9138	-1.6709	-2.0403	-1.5491	-1.5626	-1.5074	-1.9523	-1.5383	-1.7185	-1.0501	-1.4204	-1.3635	-2.2443	-1.8127	-1.6278	-1.6386	-1.7669	-1.4765		-1.7734	-1.5408	-1.3688	-1.5784	-1.9743	-1.9009	-2.1751	-1.5004	-1.3854	-1.9021
LPC O-20:0	-3.6433	-4.1947	-3.9418	-3.1785	-4.5856	-3.5466	-4.1909	-3.7122	-4.2663		-3.7111	-3.6422	-3.6970	-3.7736	-3.8984	-3.9375	-4.1015	-3.6439	-4.4995	-3.2734	-3.1033	-3.6533	-3.4903	-3.5759	-3.4917	-3.6321	-3.6824	-3.7734	-3.7492	-3.5959	-3.1324	-3.3042	-4.2265	-3.0183	-3.5217	-3.4727	-3.0091	-4.1175	-3.5852	-3.9225	-3.6240	-2.5900	-3.2665	-4.2737	-3.5377	-4.1817		-2.6607	-2.6766	-3.4463	-4.3701	-3.1014	-2.6550	-4.1601	-3.3302	-4.1172	-3.3517
LPC O-20:1/ LPC P-20:0	-3.3785	-3.5755	-2.7312	-2.5861	-3.0456	-2.4265	-2.5495	-2.3193	-2.6184		-2.9078	-3.0626	-2.8410	-2.5776	-2.4733	-2.5143	-2.4398	-1.9659	-2.9693	-2.7396	-2.6725	-1.9158	-3.0735	-3.0803	-3.1042	-3.2523	-2.4120	-3.4418	-3.4837	-2.9726	-2.9484	-2.6584	-2.9090	-2.8213	-3.3564	-3.1392	-2.6106	-2.4375	-2.9754	-2.1726	-2.8090	-2.3494	-2.8637	-2.6479	-3.2446	-3.0381		-3.0253	-3.1406	-3.1770	-2.8830	-3.3105	-3.0423	-3.4363	-3.3852	-2.3350	-2.7316
LPC O-22:0	-3.3246	-3.8380	-2.7164	-3.8939	-3.5709	-3.4260	-3.3594	-3.1131	-3.6116		-3.0419	-3.2419	-3.2527	-3.4926	-3.4206	-3.2202	-3.9921	-3.0368	-2.6080	-3.2077	-3.4899	-3.4287	-3.2625	-3.2216	-3.1206	-3.1317	-3.2075	-3.0771	-3.0858	-3.5137	-2.8072	-2.7864	-3.2253	-3.4612	-3.0245	-3.0826	-2.7552	-3.4363	-3.1204	-3.2345	-3.7981	-3.5633	-2.7656	-3.6292	-3.1898	-3.3090		-3.3346	-3.0262	-3.0358	-2.8525	-3.1911	-3.1945	-3.0652	-3.6610	-3.4120	-3.3925
LPC O-22:1/ LPC P-22:0	-3.2002	-2.6872	-3.5080	-3.2322	-2.8888	-3.6325	-3.5489	-2.3401	-2.6215		-3.0408	-3.0344	-3.5619	-2.9224	-2.9168	-3.2147	-3.2801	-3.1655	-2.6696	-3.1592	-3.1203	-3.3870	-3.4521	-3.0323	-2.9947	-3.1145	-3.1770	-3.1701	-3.2537	-3.0233	-3.2614	-2.4673	-3.2705	-3.6196	-3.4128	-3.0297	-2.6452	-3.2775	-3.0026	-2.9743	-3.7911	-3.4658	-2.6511	-3.6973	-3.4397	-3.5178		-3.1979	-3.0536	-2.9221	-2.7093	-3.1851	-3.0990	-3.0653	-2.9005	-3.3361	-2.9638
LPC O-24:0	-3.2420	-2.6768	-3.6475	-3.8113	-3.4271	-3.2984	-3.2042	-4.2806	-3.0249		-2.9001	-2.3710	-2.8337	-3.7172	-3.3929	-3.2603	-2.9597	-2.9990	-3.0526	-3.2618	-3.5135	-3.3806	-2.9568	-3.1281	-3.0502	-3.1340	-3.0928	-3.0054	-2.9756	-2.7516	-3.6928	-2.6554	-3.3417	-3.5533	-3.1326	-3.0816	-2.5777	-3.4108	-3.1179	-3.1310	-2.8947	-3.6343	-2.7142	-3.6932	-3.3116	-3.2326		-3.3615	-3.0869	-3.6958	-2.7368	-3.1597	-3.1769	-2.7709	-3.7155	-3.3960	-3.4471
LPC O-24:1/ LPC P-24:0	-2.6206	-1.6575	-1.7487	-2.0642	-2.0402	-2.0781	-2.1822	-1.8028	-1.9159		-2.1187	-2.1758	-2.0704	-2.3794	-2.1530	-1.7225	-2.0854	-1.8002	-1.7526	-2.3992	-2.2151	-1.6468	-2.3509	-2.1604	-2.4141	-1.6981	-2.6588	-2.4641	-2.2378	-2.3291	-1.9219	-2.3235	-2.3636	-2.1684	-2.4105	-2.0391	-1.9084	-1.5379	-3.2422	-3.1137	-1.8662	-2.5278	-2.9053	-1.9160	-2.5685	-2.2837		-2.0062	-2.4166	-2.1041	-1.6184	-2.4618	-1.9844	-1.9973	-2.1776	-2.1280	-2.3619
LPE 14:0	-2.9490	-3.2555	-2.6793	-3.7442	-3.3408	-2.9445	-3.4073	-3.7685	-3.6309		-3.6095	-2.8060	-3.5831	-2.3120	-3.6326	-3.4499	-3.5207	-2.4174	-2.9020	-3.1958	-3.0456	-2.7677	-3.9203	-4.6810	-2.9315	-3.2446	-2.6957	-3.5123	-3.3636	-3.0877	-2.9113	-3.6488	-2.7685	-4.1086	-4.6513	-2.3823	-4.4977	-3.3898	-3.6505	-3.2945	-2.9755	-3.7526	-3.5600	-3.9378	-2.5862	-2.8097		-3.3390	-3.0944	-3.4849	-3.4891	-3.1078	-2.5499	-3.5511	-3.1106	-3.6770	-2.7276
LPE 16:0	0.1519	-0.8701	0.3981	0.6722	0.5557	0.5330	0.1211	0.3299	0.3179		0.6332	0.6061	0.4674	0.3603	0.3375	0.5050	0.4163	0.4486	0.6908	0.3279	0.7060	0.3821	-0.1076	-0.4943	0.8107	0.4919	0.6812	0.3882	-0.0667	0.2805	0.1334	0.2353	0.0806	0.2912	0.5659	0.6344	0.3625	0.5129	0.4502	0.4923	0.3725	0.1711	0.6590	0.4185	0.1798	0.2270		0.4928	0.2011	-0.0987	-0.0259	0.1612	0.2880	0.2443	0.1908	0.2204	0.6470
LPE 16:1	-1.2834	-2.5748	-2.0618	-2.3024	-1.9685	-1.9481	-2.3004	-1.8323	-1.3753		-1.5595	-1.3118	-1.7447	-1.8142	-1.7392	-1.8819	-1.9873	-1.5795	-1.2511	-1.5536	-2.0942	-1.7171	-1.4148	-2.3122	-1.1974	-1.7869	-1.3062	-1.3588	-1.1506	-1.3518	-1.7818	-1.0907	-2.0028	-1.8756	-1.7478	-1.5612	-1.5205	-1.4725	-1.7289	-1.1321	-1.4965	-1.8767	-0.7837	-1.4666	-1.6452	-1.6470		-1.4156	-2.0718	-1.5741	-1.6942	-1.9202	-1.6319	-1.7363	-1.4867	-1.6521	-1.2620
LPE 18:0	0.6681	0.7039	0.6364	0.7873	0.7893	0.7845	0.4778	0.5720	0.4807		0.6287	0.7140	0.5642	0.6787	0.8714	1.0890	0.7057	0.7215	0.3900	0.4394	0.5072	0.4991	0.4416	0.4371	0.7205	0.5672	0.5413	0.6461	0.1972	0.6894	0.4982	0.4868	0.5030	0.4233	0.4987	0.6966	0.3615	0.6514	0.4495	0.6550	0.4539	0.3822	0.8089	0.3701	0.4923	0.5231		0.6494	0.6651	0.5454	0.3981	-0.6268	0.5711	0.6602	0.2463	0.5745	0.5090
LPE 18:1	0.1727	0.2629	0.2099	0.0823	0.1443	0.3915	0.1347	-0.1152	0.2510		0.1008	0.2092	0.0079	0.0588	0.1752	0.1534	0.1498	0.0657	-0.0270	-0.0336	-0.0536	0.1454	0.0706	-0.2711	0.1712	0.1081	0.0337	0.0675	-0.2395	-0.0113	-0.1912	-0.0512	-0.0357	-0.1401	-0.0866	0.0350	-0.2223	0.1165	-0.1728	0.0353	0.0741	-0.4235	0.3669	0.1569	-0.0022	0.2062		-0.1203	0.0199	-0.0910	-0.1654	-0.0337	0.0984	0.0223	-0.2052	-0.2181	-0.0859
LPE 18:2	-1.5787	-1.6663	-1.3821	-1.8379	-2.0080	-1.5811	-1.9545	-1.8896	-1.7947		-1.9008	-1.7006	-1.8218	-1.5890	-1.9048	-1.6095	-1.7870	-1.5886	-1.5981	-2.0207	-2.2901	-1.8115	-1.5173	-1.4332	-1.5453	-1.6237	-1.6522	-1.5383	-1.6190	-1.6277	-1.5893	-1.7289	-1.6563	-1.4843	-1.8072	-1.6428	-1.8245	-1.7408	-2.0184	-1.6546	-1.6318	-1.8598	-1.8413	-1.6618	-1.5961	-1.4015		-2.1367	-2.1674	-1.7173	-1.5535	-1.6729	-1.6673	-1.6333	-1.5851	-1.8486	-1.6126
LPE 20:1	-0.5936	-0.3803	-0.5396	-0.6723	-0.7017	-0.3789	-0.7858	-0.8217	-0.4668		-0.7529	-0.5054	-0.6516	-0.7605	-0.7843	-0.5432	-0.5511	-0.8896	-0.9515	-0.9793	-0.9499	-0.8989	-0.8751	-1.0389	-0.8298	-0.7650	-0.9504	-0.9003	-1.0405	-0.9499	-0.7573	-1.0553	-0.9380	-1.0765	-0.6979	-0.7031	-1.0894	-0.9399	-0.9685	-0.8553	-0.9932	-1.1938	-0.7949	-0.9432	-0.8135	-0.7891		-1.0272	-0.6327	-0.9252	-1.0077	-0.8064	-0.8685	-0.7783	-1.1990	-0.9641	-1.0142
LPE 20:2	-2.0619	-2.3006	-1.6233	-2.5000	-2.0744	-2.0651	-2.0324	-1.8229	-2.0989		-1.8703	-2.2019	-2.4201	-2.3571	-2.1599	-2.8440	-1.8865	-2.4473	-1.8928	-2.2695	-2.0297	-2.1320	-4.1225	-1.9784	-1.8058	-2.2991	-2.0191	-2.2185	-2.6707	-2.3634	-2.2398	-2.2718	-2.2298	-2.1872	-2.2260	-1.8973	-2.1922	-1.7193	-2.4908	-2.4221	-2.0880	-2.3152	-1.8492	-2.0558	-2.2828	-1.8988		-3.7405	-2.3745	-2.2310	-2.4765	-2.2722	-1.9820	-2.5114	-3.1697	-2.4309	-2.0599
LPE 20:3	-0.1662	-0.1022	-0.1742	-0.1391	-0.1033	-0.1358	-0.3634	-0.4457	-0.2198		-0.2717	-0.1700	-0.2784	-0.1722	-0.0411	0.1178	-0.1917	-0.2564	-0.3411	-0.3311	-0.3293	-0.2396	-0.3049	-0.3675	-0.1146	-0.2110	-0.3193	-0.2188	-0.4599	-0.1424	-0.3867	-0.2993	-0.2538	-0.3283	-0.2947	-0.1225	-0.4089	-0.2772	-0.2405	-0.1840	-0.2816	-0.4701	-0.3339	-0.3502	-0.2917	-0.2583		-0.2362	-0.1775	-0.4242	-0.3962	-0.2445	-0.2780	-0.2298	-0.4966	-0.3701	-0.3353
LPE 20:4	-0.4175	-0.9929	-0.7857	-0.7430	-0.8533	-0.9997	-0.8967	-0.8038	-0.7076		-0.8473	-1.0778	-0.7163	-1.0711	-1.1216	-0.7858	-1.0328	-0.6485	-0.4267	-1.3285	-1.3362	-1.8058	-1.1018	-1.8344	-0.6438	-0.6814	-0.7108	-0.8477	-0.6112	-1.0905	-0.9903	-1.2435	-0.9705	-0.9201	-0.5954	-1.4633	-0.2497	-0.7716	-0.6688	-1.3247	-1.3281	-0.8778	-1.1331	-0.7019	-0.8458	-1.0401		-0.4205	-1.1467	-1.4639	-1.2187	-0.9536	-0.9684	-0.7018	-0.7740	-0.7863	-0.6652
LPE 22:4	-0.9454	-1.1108	-1.1267	-1.2879	-1.4898	-1.1452	-1.2782	-1.4005	-1.2008		-1.5434	-1.1187	-1.5013	-1.3452	-1.1293	-1.0840	-1.2943	-1.2135	-1.1688	-1.5249	-1.3900	-1.2990	-1.2145	-1.1316	-1.2379	-1.3941	-1.3514	-1.1058	-0.9810	-1.3627	-1.2171	-1.6242	-1.1477	-1.2817	-1.4714	-1.2158	-1.2802	-1.4003	-1.4614	-1.3860	-1.4835	-1.4244	-1.6373	-1.3544	-1.2349	-0.9892		-1.2788	-1.1393	-1.2523	-1.4056	-1.1185	-1.0474	-1.1045	-1.2210	-1.4846	-1.1476
LPE 22:6	0.5145	0.5305	0.3922	0.3421	0.2218	0.2287	0.1149	0.0840	0.3186		0.2032	0.4433	0.3177	0.4515	0.5632	0.5161	0.0709	0.0734	0.5611	-0.8981	0.3872	0.3885	0.4859	0.5112	0.5750	0.4725	0.3477	0.4072	0.5227	0.3982	0.5441	0.1505	0.3829	0.3619	0.2705	0.3654	0.4691	0.0718	0.1190	0.1228	0.4701	0.3961	-0.3501	0.3515	0.4434	0.4637		0.4596	0.4360	0.3025	0.4073	0.3083	0.4354	0.7262	0.1894	0.2212	0.5657
LPE 24:4	-1.7875	-1.1962	-1.2228	-1.7601	-1.6822	-1.6080	-1.6084	-2.7590	-2.1010		-2.2940	-1.5819	-1.8216	-1.6055	-1.3058	-1.3948	-1.8343	-1.9513	-1.6310	-2.0733	-3.2509	-1.5919	-1.0442	-1.0892	-2.7795	-1.9412	-1.6767	-1.6919	-2.0771	-1.8216	-1.9309	-2.0183	-1.5989	-1.9102	-1.8071	-1.4539	-1.6451	-2.3766	-1.1727	-2.2288	-2.6294	-1.6890	-1.7091	-2.1800	-1.8171	-1.7772		-2.4747	-1.7158	-1.8012	-1.6886	-1.6117	-0.9797	-1.3749	-1.5789	-2.1495	-1.4940
LPE 24:5	-2.4098	-2.5340	-2.0741	-3.7621	-3.2702	-1.3025	-1.7721	-2.2073	-2.0830		-3.0266	-2.6031	-2.5159	-2.7926	-1.8082	-1.9899	-1.9964	-3.0085	-1.9929	-2.0712	-2.0710	-2.3473	-1.9536	-2.3079	-1.7984	-2.0567	-2.1795	-1.7668	-2.0855	-2.2350	-2.7320	-1.8108	-3.0964	-2.5723	-2.5150	-1.9860	-1.8082	-1.2238	-2.2046	-2.8817	-2.4903	-1.9031	-1.9000	-2.4276	-2.0396	-3.0272		-3.2486	-2.3231	-1.6852	-2.4263	-2.1664	-1.2780	-1.5439	-3.2307	-2.6471	-2.2154
LPE 26:4	-1.5025	-1.7027	-1.5361	-1.4511	-1.4643	-1.4393	-1.3915	-1.2356	-1.9365		-1.6762	-1.3428	-2.0927	-1.4208	-1.1254	-0.9674	-1.7004	-1.7635	-1.6920	-1.4821	-1.2828	-1.5759	-1.4346	-1.7132	-1.3223	-1.8013	-1.5139	-1.4616	-1.9989	-1.3412	-1.6977	-1.5050	-1.8439	-1.4518	-1.7246	-1.2504	-1.7927	-1.2242	-1.1859	-2.1634	-1.4861	-1.2193	-1.5031	-2.2011	-1.6645	-1.7867		-1.4570	-1.3536	-1.3222	-1.7321	-1.8357	-1.2865	-1.3374	-1.6974	-1.8104	-1.3299
LPE O-16:0	-0.2360	-0.4523	-0.2946	0.0815	-0.2165	-0.1325	-0.5042	-0.0543	-0.2858		-0.3385	-0.5081	-0.4999	-0.1957	0.0397	-0.2477	-0.0812	-0.2168	-0.4659	-0.2704	-0.2203	-0.1125	-0.2042	-0.5589	-0.2113	-0.3706	-0.1757	-0.4283	-0.7249	-0.0931	-0.6487	-0.1759	-0.3675	-0.1620	-0.4691	-0.2768	-0.4853	0.0135	-0.5401	-0.4323	-0.3459	-0.3361	-0.0982	-0.4557	-0.5737	-0.4486		-0.0848	-0.2528	-0.5249	-0.4495	-0.2457	-0.1054	-0.3345	-0.4014	-0.5120	-0.3365
LPE O-18:1/ LPE P-18:0	-2.0583	-3.6497	-1.7307	-2.1263	-2.0525	-1.9737	-1.9595	-3.0101	-2.3837		-2.0705	-1.8767	-2.3481	-1.2682	-1.4727	-1.6046	-1.4943	-3.4047	-1.6512	-2.8981	-1.8219	-2.1134	-2.4237	-1.7706	-1.4220	-3.1417	-0.6967	-2.5456	-1.6801	-1.8181	-1.8335	-1.7508	-1.8307	-3.0440	-1.5303	-0.6230	-1.8809	-1.3666	-1.7440	-2.0318	-1.7150	-1.2216	-0.7252	-0.9809	-1.0791	-1.8929		-1.9377	-2.7506	-1.3416	-3.1474	-3.1934	-1.6130	-1.4732	-3.0997	-1.8511	-1.3351
LPE O-18:2/ LPE P-18:1	-1.8554	-1.5507	-2.1777	-3.5895	-2.0832	-1.7361	-2.2758	-1.6488	-1.4347		-1.8391	-2.9610	-1.7396	-2.0376	-1.5087	-1.8651	-1.9176	-1.3753	-2.1137	-2.0882	-2.0648	-1.9932	-1.4073	-1.7327	-2.1673	-2.2310	-1.2277	-1.5901	-1.7442	-1.6489	-1.5959	-1.4942	-2.0460	-2.3211	-2.1173	-1.7390	-2.6713	-1.4568	-1.2976	-1.9606	-2.5146	-2.4743	-1.7542	-2.1472	-1.5129	-2.1538		-1.8368	-2.4549	-1.9420	-2.1217	-1.9159	-1.8234	-1.7365	-1.6926	-1.9254	-2.2896
LPE O-20:2/ LPE P-20:1	-2.0883	-2.2157	-2.2369	-2.2862	-2.4563	-2.0271	-2.4143	-2.1770	-2.4234		-1.9145	-1.7072	-2.1077	-2.5909	-2.4695	-2.5206	-2.1226	-2.4655	-3.0913	-2.3577	-2.6112	-2.7112	-2.6023	-3.8172	-2.8663	-3.1537	-3.0602	-2.6642	-3.1073	-2.2757	-2.3579	-2.8213	-2.5971	-3.2249	-2.9781	-2.1617	-3.1515	-2.5256	-2.5768	-2.8905	-2.7974	-2.5243	-2.2780	-2.8793	-3.1523	-2.1909		-3.3411	-2.2705	-2.5547	-2.6729	-3.7868	-3.0318	-2.5224	-3.5013	-2.7919	-2.7931
LPG 16:0	-1.2091	-1.3712	-1.3873	-1.1674	-1.5052	-0.9170	-1.1603	-1.0841	-1.4742		-1.4446	-1.0193	-1.5831	-0.9981	-1.1004	-0.8189	-1.2706	-1.4579	-1.5271	-1.1596	-1.4226	-1.5447	-1.2084	-1.2601	-0.9219	-1.3032	-1.4006	-1.2399	-1.6110	-1.2450	-1.4075	-1.4610	-1.5604	-1.6367	-1.3306	-0.9923	-1.5482	-1.4400	-1.6552	-1.3288	-1.3851	-1.1649	-0.9838	-1.5081	-1.5523	-1.5126		-1.5306	-1.2262	-1.3653	-1.3420	-1.5553	-1.4603	-1.0771	-2.0256	-1.5070	-1.3082
LPG 18:1	-1.0252	-1.4834	-1.2618	-2.2601	-1.5309	-1.7137	-1.1701	-1.5048	-1.4988		-1.5872	-1.0788	-1.5249	-1.3787	-1.7231	-1.4666	-2.0263	-1.9788	-1.4771	-1.5876	-1.6193	-1.8747	-1.5059	-1.4056	-1.4172	-1.6357	-1.9860	-1.4645	-1.5183	-1.3012	-1.4554	-1.3887	-1.7467	-1.4230	-1.8864	-1.3207	-1.7769	-1.8461	-1.6559	-1.8309	-1.4751	-1.5414	-1.6161	-1.6259	-1.4549	-1.5838		-1.9071	-1.5889	-1.1669	-1.3358	-1.5617	-1.3021	-1.5259	-1.6225	-1.3009	-1.5668
L-Phenylalanine	2.8878	2.7434	2.8010	2.9372	2.9939	2.8438	2.7460	2.7752	2.9486	3.1701	2.7385	2.8413	2.8240	2.8291	2.7837	3.0515	2.7596	3.0403	2.9893	3.0556	3.0410	3.1627	3.2682	3.0210	3.0045	3.2074	3.0890	3.0250	3.0511	2.9303	2.9613	2.9493	3.1814	2.5180	2.8492	2.7799	2.9770	3.0252	3.1181	3.0014	2.9525	3.0502	2.8067	2.7469	3.0812	2.9671	2.9162	3.2865	3.0486	2.9324	3.1432	3.1132	2.9917	2.9662	2.8885	3.0325	3.0262
LPI 16:0	-2.2006	-1.8015	-1.8102	-1.0868	-2.5360	-1.8074	-1.5254	-1.7696	-1.6152		-1.4958	-2.1176	-2.0557	-1.8175	-2.1294	-1.7802	-2.0864	-1.8082	-1.6358	-1.5935	-1.7790	-1.6288	-1.6435	-2.0535	-1.8686	-1.5764	-1.9913	-1.2864	-1.7733	-2.2035	-1.0269	-2.5704	-1.6293	-1.5606	-1.6638	-1.7182	-1.6749	-1.4959	-1.9053	-1.6084	-1.7655	-1.6689	-1.9573	-1.8236	-1.5361	-1.3956		-1.7474	-1.8467	-1.5532	-1.6196	-2.0209	-1.7554	-1.9250	-1.5838	-1.7945	-1.7485
LPI 18:0	-1.5446	-1.1253	-1.1924	-1.2236	-1.4096	-1.2572	-1.2079	-1.2890	-1.3680		-1.2574	-1.2685	-1.4607	-1.2982	-1.3176	-1.1015	-1.5104	-1.3717	-1.3119	-1.3610	-1.4710	-1.1989	-1.4087	-1.4398	-1.4058	-1.2588	-1.5161	-1.3948	-1.4653	-1.5296	-1.1695	-1.4382	-1.3599	-1.3231	-1.3458	-1.3694	-1.4372	-1.3004	-1.4932	-1.2636	-1.2789	-1.3752	-1.5924	-1.3819	-1.1468	-1.4598		-1.3936	-1.3181	-1.2732	-1.4000	-1.4754	-1.3728	-1.5712	-1.4979	-1.2103	-1.4085
LPS 16:0	-2.6054	-2.3440	-2.2830	-1.6805	-2.5990	-1.9627	-2.5209	-2.4424	-2.6180		-2.1699	-2.2282	-2.4068	-2.3128	-2.3827	-2.6043	-1.9635	-2.2006	-2.4488	-2.3295	-2.1851	-2.2211	-2.5216	-2.7251	-2.7022	-2.0331	-2.4302	-2.1062	-2.4723	-3.8432	-2.1390	-1.9121	-2.7255	-2.2799	-2.3472	-2.4155	-2.4507	-2.7942	-3.1466	-2.2805	-2.3887	-2.5042	-1.8073	-3.4204	-2.8516	-1.7080		-2.7263	-2.6451	-3.1100	-2.6109	-2.6676	-1.9196	-2.3550	-2.8892	-2.4256	-2.2418
LPS 18:0	-2.2274	-1.9472	-2.1569	-2.2164	-1.9950	-1.9069	-2.1276	-2.1025	-2.8346		-1.7907	-2.2170	-2.1918	-2.5399	-1.7618	-1.8860	-1.9044	-1.9430	-1.9508	-1.7842	-1.7518	-1.3326	-1.7156	-2.1402	-2.1307	-1.4996	-1.8083	-2.7310	-2.0294	-1.7987	-1.7158	-1.1864	-1.8931	-1.7912	-2.0462	-1.6607	-1.8885	-1.6989	-1.6522	-2.2197	-1.5901	-1.5486	-1.3120	-1.7052	-1.8743	-1.6572		-1.4587	-1.6833	-2.0554	-2.1036	-1.5619	-1.7245	-1.9454	-2.1579	-2.1776	-1.6574
LPS 18:1	-1.5800	-1.3404	-1.4420	-1.7046	-2.3471	-1.2340	-1.5113	-1.6697	-1.2258		-1.6639	-1.1846	-1.5015	-1.3575	-1.9980	-1.6280	-1.9409	-1.5644	-1.9059	-1.6368	-1.8746	-2.0302	-1.4825	-1.3583	-2.2566	-1.1803	-1.8619	-1.4559	-1.6985	-1.5774	-1.4407	-1.5219	-1.9032	-1.8087	-1.5121	-1.6622	-1.8619	-2.4142	-1.6549	-1.7600	-1.4740	-2.1499	-1.9434	-1.7955	-1.5807	-1.6520		-1.2881	-1.4321	-2.0848	-2.9673	-1.0256	-1.3568	-1.2811	-0.9189	-1.8759	-1.5501
LPS 20:4	-1.6839	-1.4287	-1.2910	-1.6933	-2.2389	-1.5717	-1.7119	-1.8018	-1.6042		-1.7364	-1.5263	-1.6750	-1.5451	-1.6195	-1.9626	-2.0222	-1.6794	-1.4366	-1.7835	-1.6286	-2.2501	-1.9342	-1.3202	-2.1835	-1.6253	-1.6348	-1.6590	-1.5709	-1.3693	-1.7488	-1.5255	-1.7745	-1.6724	-1.7692	-1.6903	-1.5747	-2.2864	-1.4783	-1.9748	-2.1945	-1.2133	-1.8128	-2.1223	-1.5379	-1.8244		-1.3249	-1.9824	-1.5463	-1.9529	-1.3070	-0.9966	-1.9283	-0.9045	-1.8564	-1.4613
LPS 22:6	-1.8823	-1.7317	-1.5709	-1.8764	-1.6662	-1.7000	-2.0209	-1.5214	-1.7815		-1.8969	-1.8570	-1.9192	-1.7786	-1.8664	-1.8601	-2.2245	-1.6637	-1.2786	-1.5405	-1.4877	-1.8512	-1.8875	-1.3889	-2.0105	-1.4312	-1.8160	-1.2565	-2.0906	-1.4618	-1.5257	-1.8920	-2.0587	-1.2263	-1.7446	-1.5325	-1.6465	-1.4627	-1.7958	-2.3996	-2.0337	-1.4791	-1.5544	-2.2311	-1.6320	-1.7682		-1.2707	-1.6462	-1.6463	-1.7039	-1.4143	-1.1830	-1.5870	-1.0758	-1.9117	-1.5966
L-Serine	2.6711	2.6091	2.6752	2.6697	2.6823	2.5021	2.4779	2.6441	2.7805	2.6908	2.4578	2.6403	2.6811	2.6184	2.6050	2.6460	2.6429	2.6956	2.6283	2.7153	2.6512	2.7617	2.7436	2.7721	2.6239	2.7570	2.5897	2.6152	2.7291	2.6710	2.7127	2.6995	2.6410	2.6293	2.6373	2.5986	2.6417	2.7094	2.8228	2.6427	2.5360	2.6561	2.5627	2.6882	2.7462	2.6481	2.7322	2.9367	2.6824	2.6391	2.7266	2.7558	2.7375	2.7658	2.5966	2.7428	2.7059
L-Threonine	2.3878	2.2956	2.3412	2.5035	2.4288	2.4098	2.4644	2.4455	2.6246	2.5688	2.3667	2.4867	2.4104	2.5467	2.2278	2.5381	2.3282	2.5612	2.4443	2.5895	2.4757	2.5930	2.5833	2.5293	2.5943	2.6241	2.6547	2.6202	2.5930	2.4245	2.4880	2.4602	2.5667	2.4662	2.4816	2.4070	2.4739	2.4733	2.6182	2.5020	2.4006	2.5117	2.3497	2.3954	2.4994	2.4355	2.4839	2.7087	2.4648	2.4257	2.5355	2.5107	2.3897	2.5036	2.3939	2.6119	2.5593
L-Tryptophan	2.2017	2.1485	2.1384	2.2823	2.0681	2.2213	2.3169	2.2618	2.4266	2.4899	1.9828	2.2160	2.1839	2.3286	2.1278	2.4485	2.0664	2.5107	2.3964	2.4585	2.4958	2.5241	2.5189	2.3610	2.3341	2.6303	2.4736	2.3947	2.4036	2.3006	2.4718	2.3484	2.4392	2.0815	2.2356	2.2074	2.3475	2.3241	2.4998	2.3525	2.2033	2.4807	2.2649	2.0505	2.5754	2.2101	2.2431	2.6265	2.2625	2.2313	2.5299	2.3976	2.1595	2.4469	2.3043	2.4792	2.3539
L-Tyrosine	-0.4417	-0.4604	-0.2008	-0.6099	-0.2665	-0.7997	-0.7794	-0.2673	-0.1810	-1.6742	-0.0260	-0.5872	-0.0652	-1.8899	0.1160	-0.3278	-0.4686	-0.5507	-0.1533	-0.0633	-0.2027	-0.2784	-0.0861	-0.1772	-0.4057	-0.1776	-0.3198	-0.5748	-0.3641	0.0663	-0.6268	0.0236	0.6076	-0.7315	-0.1046	-0.5497	-0.1797	-0.0325	0.3832	-0.3220	-0.4977	-0.1430	0.4834	-1.3046	-0.3182	-1.3258	-0.2426	0.5678	0.2046	-0.1150	-0.0892	-0.0014	0.3083	-0.3830	-0.1581	-0.3249	-0.1783
L-Valine	4.1784	4.0909	4.0765	4.2026	3.8889	4.1759	4.5166	4.3517	4.1501	4.3580	4.1954	4.2022	4.0015	4.1521	4.1794	4.4313	4.0196	4.1592	4.2467	4.3080	4.3178	4.3293	4.1356	4.3507	4.3707	4.4830	4.0173	4.2448	4.6105	4.2302	4.3239	4.2113	4.4373	4.4145	3.9932	4.2581	4.3999	4.3442	4.4863	4.4547	4.1103	4.3720	4.2891	4.1504	3.8364	4.3225	4.2857	4.1251	4.2968	4.1193	4.3530	3.9087	4.1171	4.5061	4.0477	4.4226	4.4287
Malic acid	1.7360	2.1317	2.7861	2.1295	2.0118	2.1036	2.4006	2.2493	2.9286	1.9730	2.3204	2.4712	2.7688	2.1580	1.7732	2.0119	2.2052	2.0243	2.1578	2.1164	1.7192	2.0086	2.1765	2.4314	2.3751	2.1121	2.4896	2.4027	2.4866	2.0932	2.4595	2.2965	1.7305	2.7688	2.5193	2.4473	2.2634	1.9952	1.9560	2.5482	2.2044	2.0710	3.1505	2.3848	1.8904	2.0003	2.4486	1.7995	2.1598	2.2565	2.0008	2.2702	1.9809	2.0720	1.8946	2.3266	2.5176
Methionine	-1.8752	-2.1109	-0.9163	-2.0375	-1.3485	-1.8999	-2.1022	-0.9938	-1.2634	-1.3032	-1.7447	-1.1963	-1.7927	-1.4059	-1.5814	-1.1718	-1.6636	-0.5673	-0.7756	-0.7439	0.3357	-0.1474	0.4024	-0.7642	0.0661	-0.4037	-0.1087	-0.5597	-0.2581	0.1078	0.0406	-0.0462	-0.6472	-0.3736	-0.1340	-0.9031	-0.6076	-0.1105	-0.5576	-0.6060	-0.5403	0.0872	-0.6628	-0.4632	-0.9673	-0.9895	-0.5289	0.0841	-0.2363	-0.8746	-0.0988	0.2487	-0.4800	-0.0734	-0.6630	-0.1140	-0.1762
Methionine sulfoxide	2.4255	2.4047	2.5410	2.4193	2.6193	2.8442	2.8036	2.6867	2.6701	3.2675	2.5017	2.6287	2.5378	3.0966	2.5832	3.0861	2.3867	3.1878	2.7382	2.6088	3.0577	3.3271	3.2927	2.9795	2.9862	3.2367	2.5726	2.7799	2.9027	2.6935	3.3310	2.6266	3.1778	2.6684	2.5239	2.5055	2.7080	3.1068	3.2061	2.9435	2.9203	3.2689	1.6972	2.2521	2.3864	2.6148	2.3266	3.3292	3.1031	2.7060	3.1473	2.7445	2.5528	2.9734	2.7126	3.0510	2.9202
Methylglutamic acid	0.7834	0.6147	0.4370	0.8144	0.8612	0.7144	0.6562	0.2581	0.4207	0.6580	0.8400	0.5076	1.0084	0.6434	0.9203	0.3398	1.4040	0.4493	0.7021	0.6261	0.8711	0.7674	0.6497	0.3395	0.6301	0.4007	0.5822	0.5313	0.6791	0.7394	0.1037	0.6507	0.6151	0.2909	1.0190	0.4895	1.0878	0.5074	0.7112	0.5587	1.0163	0.1520	0.9306	0.8341	0.5253	0.5607	0.7434	0.3365	0.8212	0.5824	0.4779	0.4813	0.9043	0.6781	0.6365	0.8055	0.2852
N1-Acetylspermine	0.0984	0.4948	0.4247	-0.1187	-0.0196	1.6122	0.9270	0.0478	0.3214	0.2479	0.5211	0.0743	0.2612	0.2569	-0.6133	-0.0572	0.7601	0.2060	0.7180	0.7396	-0.2545	-0.5456	0.8710	0.3552	0.5655	0.2514	0.5624	0.4263	-0.4036	-0.7185	0.5831	1.2021	0.5540	0.4022	0.6166	1.1829	0.5339	-0.3597	0.2547	0.3265	0.4929	0.0985	0.4213	0.7990	0.8684	0.9062	0.7545	-0.4609	-0.0675	0.2105	0.3848	1.1046	0.4731	0.5545	0.7215	0.7550	0.6952
N6-Acetyl-L-lysine	1.1350	1.0071	0.7842	1.1083	1.4001	1.2668	1.4310	1.0928	0.9912	1.7876	0.7963	1.2871	1.2552	1.9085	0.7656	1.7708	0.8836	1.8029	1.2212	1.7398	1.5700	1.5915	2.0932	1.5802	1.4665	2.3102	1.2549	1.3026	1.4449	1.5695	1.4890	0.9162	1.5871	0.8451	0.7934	0.9070	1.0173	1.2725	1.2116	1.4093	1.7369	1.6444	0.8126	0.7779	1.3047	1.1247	0.8966	2.0041	1.4002	1.0753	1.9777	1.3803	0.9849	1.4552	1.4269	1.3790	1.2858
N8-Acetylspermidine	0.0759	0.5022	1.3253	1.1556	0.9047	1.1692	1.2332	1.3172	0.7182	1.1134	1.8448	1.0868	0.9482	0.7421	0.8964	1.4106	2.0209	1.1097	1.4111	1.0755	1.1413	1.6640	1.1417	1.2537	1.2570	1.0464	1.4486	1.2844	1.5795	1.3910	1.5863	1.1689	1.2810	1.1436	1.4743	1.7507	2.7720	1.3684	1.2524	1.0480	1.1260	1.3509	0.4062	1.4657	1.8830	1.2503	1.7938	1.0088	1.2800	0.8808	0.8030	1.0494	1.1697	1.3181	0.8782	1.5099	1.3544
N-Acetylhistidine	0.7774	0.6915	0.8420	0.5620	1.1759	-0.0412	0.4341	0.5023	0.7529	0.4183	0.2130	0.3752	-0.0028	0.5111	0.0512	0.4843	0.3543	0.6233	0.3478	-0.0923	0.5260	0.3811	0.6456	0.3127	0.3031	0.5994	0.3277	0.1577	-0.8813	0.4930	-0.1131	0.7868	0.6081	0.2692	0.0308	0.4833	-0.2098	0.2886	0.0660	0.4741	-0.1750	0.6959	0.2641	0.2102	0.2479	0.3053	0.5668	0.7764	0.8713	0.6198	0.3805	0.7529	0.7127	0.0798	0.2993	0.3141	0.1170
N-Acetyl-L-aspartic acid	0.1985	0.7682	0.5652	0.3745	0.2691	-0.1291	0.5332	0.1578	-0.5375	-0.0505	-0.3731	0.1317	-0.1947	0.7918	0.1408	0.4236	-0.6257	0.1495	0.1266	-0.1220	0.6315	0.3491	0.5117	0.4790	0.1057	0.4531	-0.0577	0.6045	0.0981	0.7127	0.6559	-0.4513	0.9772	0.5457	0.5462	0.2839	0.0724	0.3267	-0.1484	-0.0430	1.0134	0.9289	-0.0509	0.6227	0.0702	0.3828	0.4025	0.4388	1.1765	1.0737	0.4629	-0.1007	-0.3862	0.5875	0.5464	0.4555	0.7085
N-Acetylleucine	1.1594	1.2690	1.1705	1.2353	1.1662	1.1116	1.1152	1.0704	1.2131	1.2531	1.1393	1.1173	1.0297	0.9677	1.0109	1.0113	1.1106	1.3709	1.2532	1.2303	1.2257	1.3956	1.4523	1.5042	1.4044	1.1706	1.2142	1.2341	1.0846	1.4378	1.1860	1.1177	1.4331	1.0864	1.1170	1.0521	1.1219	1.2483	1.1896	1.3870	1.3381	1.2361	1.5422	1.2938	1.0945	1.2131	1.3281	1.3784	1.1963	1.5042	1.3910	1.2680	1.1854	1.2727	1.3068	1.2032	1.3009
N-Acetyl-L-glutamic acid	0.4331	0.1939	0.4273	0.1682	-0.0582	-0.1157	-0.2860	0.4883	0.1057	-1.1599	-0.2015	0.4604	-0.0530	0.7885	0.1851	0.1649	0.0240	0.7848	0.2453	0.0932	0.0340	0.0243	-0.0457	0.1789	-0.1472	0.0969	0.4841	0.0579	0.1175	1.1084	0.0269	-0.0427	-0.2873	0.3097	0.1456	0.3779	-0.2055	-0.1168	-0.2264	-0.1797	-0.0807	0.5002	0.8199	0.2293	0.1931	0.1028	0.6545	0.2458	-0.1236	0.4154	-0.1969	0.1846	-0.0285	-0.2145	0.5871	-0.0497	0.1656
N-Acetyl-L-methionine	-1.2639	-1.5048	-2.4898	-1.0975	-2.6122	-1.5186	-1.8033	-1.8805	-1.8306	-2.1499	-0.9597	-1.7324	-2.2085	-1.8320	-2.0393	-2.8110	-2.0122	-2.9269	-1.2058	-2.0099	-2.0059	-2.4558	-2.2180	-0.8089	-2.2032	-1.0993	-0.9021	-1.2616	-1.2054	-1.7379	-1.6407	-1.9586	-1.9903	-1.8387	-1.6322	-1.7042	-1.7606	-1.7058	-0.6385	-1.8010	-1.4879	-1.9835	-1.0539	-1.4689	-0.3191	-0.9097	-1.9311	-2.0053	-1.1712	-1.1679	-1.7225	-1.6964	-1.1831	-1.9229	-1.4807	-2.3516	-1.0387
N-Acetylmannosamine	1.7057	1.6841	1.8399	1.6261	1.8658	1.3686	1.1100	1.6954	1.2397	1.5527	1.5310	1.5146	1.5938	1.7038	2.0449	1.3385	1.9531	1.4772	1.8021	1.5989	1.5755	1.5512	1.3218	1.7094	1.5633	1.4724	1.5027	1.6334	1.7946	1.6522	1.4170	2.1202	1.1780	1.4692	1.7348	1.4011	1.7336	1.6647	1.7809	1.3897	1.5262	1.4082	1.6090	1.9578	2.0629	1.5247	1.6211	1.8636	1.8416	1.5178	1.4371	1.7211	2.0902	1.8277	1.7437	1.4346	1.6241
N-Acetylputrescine	1.9235	1.6630	1.4059	1.3143	1.7688	1.6212	1.5060	1.4435	1.5082	1.6670	1.5691	1.5559	1.6478	1.7173	1.2012	1.4412	2.0097	2.3582	1.3995	1.7275	1.4793	1.7460	1.9244	1.7541	1.7463	1.5273	1.4693	1.6795	1.8651	2.0257	1.6911	1.4328	1.5922	1.6903	1.5851	1.5837	1.9992	1.6355	1.7803	1.6242	1.7587	1.6950	1.3555	2.1332	1.5690	1.7119	2.0062	1.7976	1.6019	1.4634	1.3910	1.8176	1.4977	1.8232	1.7524	2.0408	1.8190
NAE 12:0	-0.3857	-0.5593	-0.5340	-0.5358	-0.4379	-0.4499	-0.7851	-0.6873	-0.4257		-0.4661	-0.9080	-0.7260	-0.6820	-0.8934	-0.7751	-0.7140	0.0415	-0.2547	-0.3476	-0.5081	-0.4009	-0.3601	-0.5419	-0.4325	-0.5911	-0.6393	-0.6351	-0.4563	-0.3968	-0.7383	-0.5466	-0.2589	-0.3696	-0.5789	-0.3349	-0.5740	0.0314	-0.4074	-0.7609	0.1085	-0.8820	-1.0011	-0.6137	-0.4815	-0.6451		-0.3279	0.1112	-0.3431	-0.2674	-0.3565	-0.0251	-0.7155	-0.6577	-0.8537	-0.4440
NAE 14:0	-0.0658	0.2010	0.1881	0.1304	0.3795	0.3581	0.0291	0.1582	0.2616		0.1987	0.1134	0.1157	0.1090	0.2141	0.3579	0.1843	0.1947	0.3694	0.1897	0.1693	0.1475	0.0375	-0.0034	0.4898	0.2612	0.3068	0.2008	0.1546	0.2595	0.0125	0.0891	0.4128	0.2337	0.1167	0.3329	0.2288	0.1705	0.2864	0.0587	0.1979	-0.0789	0.0145	0.1743	0.2781	0.1118		0.3540	0.2199	-0.1274	0.0073	0.2748	0.3930	0.2400	0.2103	0.1998	0.3226
NAE 16:0	0.3464	0.4589	0.7149	0.2170	0.8607	0.1962	0.4129	0.3715	0.4445		0.1883	0.5884	0.3562	0.5032	0.4705	0.4172	0.3179	-0.0195	0.5184	0.1458	0.4516	0.2608	0.5406	0.3024	0.2306	0.4837	0.3057	0.1138	0.1887	0.6607	0.2502	0.4105	0.3973	0.4993	0.3461	0.2667	0.2703	-0.0321	0.2770	0.1542	0.3224	0.2355	0.2470	0.2374	0.1138	0.2966		0.2075	0.5995	0.2277	0.3923	0.3523	0.4808	0.4477	0.6641	0.5878	0.7757
NAE 18:0	-0.9658	-0.8214	-0.0790	-1.5470	0.2713	-1.1780	-1.0509	-0.8172	-1.2122		-1.1129	-0.7403	-0.8556	-0.4547	-0.8309	-0.8898	-1.1257	-0.4688	-0.7893	-1.3456	-1.1427	-1.2743	-1.2482	-1.4923	-1.3092	-1.0212	-1.2604	-0.9629	-1.3937	-0.7091	-1.3705	-0.5756	-0.6923	-1.3826	-1.3781	-1.1284	-1.3057	-1.2293	-1.2061	-0.7992	-1.4919	-1.2007	-2.1425	-1.0960	-1.2877	-0.8871		-0.8849	-0.5129	-1.8866	-1.0207	-1.3747	-1.5273	-0.8507	-0.9631	-0.0050	-0.6422
NAE 20:0	-0.5477	-0.5637	-0.7354	-0.4321	-0.3289	-0.7349	-0.8359	0.0125	-0.8766		-0.8645	-0.6433	-0.5302	-0.4868	-0.5526	-0.7504	-0.5426	-0.4809	-0.8321	-0.8119	-0.7739	-0.5791	-0.7610	-0.8678	-0.5251	-0.2758	-0.9458	-1.1348	-0.8504	-0.3510	-0.7254	-0.2016	-0.3706	-0.4837	-0.9253	-0.4725	-0.9211	-0.7753	0.3322	-0.5799	-0.1581	-0.6437	-2.9160	-0.5384	-0.6332	-0.5608		0.4874	-0.9621	-0.7826	-0.7624	-0.1000	-1.0842	-0.6242	-0.7383	-0.6962	-0.9961
"N_N^-dimethylarginine"	2.0214	2.1049	2.0598	1.8936	1.7831	2.3628	2.2526	2.2472	2.0693	2.3407	1.7115	2.0033	1.8800	2.2555	1.8910	2.2779	1.7600	2.1794	2.1677	2.1927	2.0314	2.0223	2.2344	2.4309	2.0075	2.1844	1.8704	2.2226	2.0192	2.2800	2.4358	1.6270	2.2967	2.5607	1.9858	1.7786	1.8294	2.0838	2.0147	2.2002	1.9500	2.7042	1.6820	1.9219	2.0029	2.1708	1.8715	2.6108	1.8808	2.3921	2.2025	1.7840	1.5007	2.1273	2.0620	2.3629	1.9080
Ornithine	2.0207	2.4165	1.9955	1.7307	2.3266	1.7218	2.1376	1.8007	2.2866	1.9647	2.0097	1.8330	2.5954	1.3995	1.8031	1.8502	1.9255	1.7296	1.8977	1.8405	1.8358	2.0858	1.9853	2.2052	1.5409	1.9339	1.7289	1.8706	1.8802	1.7013	1.9611	1.7546	2.3332	2.0210	1.8480	1.4664	1.7436	2.1151	2.0183	2.0824	1.9276	1.9094	2.2197	1.6386	1.5230	1.7799	2.1242	1.8213	2.4131	1.8627	2.1016	2.0785	1.9381	1.8542	1.8832	1.9553	2.0268
Orotic acid	1.6491	1.4776	1.1633	1.0495	2.1374	0.7312	0.4764	1.2303	0.4731	1.2877	0.2072	0.7116	0.9909	1.4376	1.7217	1.0383	0.7184	1.1590	0.4983	1.0987	1.4423	1.4779	0.4148	0.9724	0.0597	1.4552	0.0395	0.9097	-0.1699	0.9000	0.3362	0.8953	0.9583	0.4864	-0.0108	0.2372	0.0066	0.4501	0.3301	-0.0872	0.3915	1.0818	0.6055	0.8764	0.8378	0.9831	0.9573	0.7119	0.3711	1.2012	0.8732	0.9584	0.9454	1.8333	0.9990	-0.3368	0.2882
Panthenol	0.9974	0.9133	0.9031	0.8157	1.0754	0.9864	1.1362	0.8466	1.8147	0.9676	0.4815	1.2164	1.6393	0.9558	0.8210	1.1886	0.6030	0.5720	0.8370	0.8476	1.6617	1.6198	0.8880	0.7508	0.6758	1.1363	1.2107	1.0985	1.1260	0.7782	0.9677	0.9529	0.9940	1.0444	1.5188	0.6051	0.9386	1.3672	1.0685	0.9378	1.0608	1.1276	1.5516	1.0631	0.7788	1.0655	0.9339	1.1724	0.5798	1.2630	1.2038	1.2753	1.0019	0.7132	0.8434	0.9759	0.9628
Pantothenic acid	0.9870	0.9688	0.8165	1.0048	0.7819	1.0207	1.3391	1.1284	1.0740	1.2400	1.2062	1.0238	0.8864	0.9218	1.1325	0.8519	1.0502	1.4892	1.0961	1.0382	1.2820	1.0464	1.1496	1.1121	1.2451	0.7278	1.1860	1.1454	1.2408	0.9419	1.5985	0.7601	1.0103	1.3134	1.0081	1.0057	1.2765	1.2759	0.8577	1.1269	1.3530	0.9539	1.0316	1.1841	1.1888	1.2762	1.2397	0.7851	0.6572	0.9784	0.8937	0.7882	0.8127	1.4557	0.9672	1.0222	1.3005
PC 20:0	-1.3145	-1.1967	-1.5419	-1.3089	-1.5621	-0.9451	-1.0856	-1.1999	-1.1045		-0.6916	-1.9334	-1.6681	-1.3019	-1.1650	-1.1799	-1.5998	-1.0739	-1.3072	-1.7123	-1.3613	-1.5484	-1.4171	-1.1332	-1.2917	-1.6138	-1.2332	-1.7342	-1.2256	-1.7330	-1.7515	-1.4300	-1.2957	-1.1913	-1.7036	-1.5951	-1.3755	-1.4299	-1.4620	-1.4150	-1.4222	-1.7370	-2.4450	-1.1639	-1.5770	-1.2169		-1.6630	-1.2026	-1.4771	-1.5994	-1.3022	-1.5861	-1.6450	-1.2867	-1.1707	-1.7242
PC 30:0	-0.4035	-0.2555	-0.7649	-0.9084	-0.6616	-0.5623	-0.1385	-0.4865	-1.0063		-0.4219	-0.6022	-0.3747	-0.3096	-0.7180	-0.4206	0.1178	-0.2991	-0.1141	-0.2458	-0.3879	-0.5013	-0.5577	-0.2080	-0.6587	-0.5314	-0.1491	-0.4615	0.0003	-0.3990	-0.2671	-0.0963	-0.4975	-0.3496	-0.0604	-0.7992	-0.5196	-0.5825	-0.3658	-0.4599	-0.2386	-0.5857	-0.4222	-0.3214	-0.2480	-0.4743		-0.1019	-0.2565	-0.6895	-0.5045	-0.6057	-0.0737	-0.6969	-0.2877	-0.4160	-0.4055
PC 32:0	0.0907	0.0952	-0.3529	-0.1241	0.1578	-0.2850	-0.1441	-0.1360	-0.3622		-0.2904	-0.1370	-0.1018	0.0780	-0.2858	-0.1535	0.3084	-0.0190	0.3149	0.1943	-0.0751	0.1192	-0.0776	0.1735	-0.2045	0.0007	0.1652	-0.0336	0.1894	0.1318	-0.0597	0.2431	0.0725	0.1155	0.3415	-0.3739	0.1313	-0.0414	0.1881	-0.1224	0.2413	0.0185	-0.0031	0.0211	0.1188	-0.2061		0.3858	0.3670	-0.1125	-0.0657	0.1954	0.3858	-0.1161	0.0880	0.1005	0.0413
PC 32:1	-0.0271	0.1657	-0.3557	0.0030	0.0049	-0.1794	-0.1466	-0.0205	-0.4180		-0.1126	-0.1962	-0.0409	0.4683	-0.3535	-0.2805	0.1054	0.1191	-0.0132	0.0667	-0.0919	-0.4021	-0.0139	-0.1012	-0.2756	-0.0997	-0.2012	-0.2369	-0.0331	-0.0956	0.0771	0.0444	-0.1735	0.2052	0.1817	-0.5722	-0.1555	-0.2287	-0.1190	-0.0122	-0.0005	-0.0020	0.1783	-0.0614	-0.3498	-0.2610		0.0932	0.0024	-0.3880	-0.1721	-0.0792	-0.1580	-0.2571	-0.3013	0.0891	-0.2354
PC 32:2	-1.0433	-0.7579	-1.0542	-0.8702	-1.0449	-0.8590	-1.4420	-0.8934	-1.5316		-0.9158	-1.2762	-1.1440	-0.6932	-1.4055	-1.5439	-0.5605	-0.7527	-0.9533	-0.9489	-0.9376	-1.3124	-1.0117	-0.8210	-1.5466	-1.1687	-0.8317	-0.9343	-0.9920	-1.2701	-0.5400	-0.7828	-1.0198	-0.7121	-0.6166	-1.5883	-1.0540	-0.8859	-1.0461	-0.9909	-0.6298	-0.7157	-0.5649	-0.7781	-0.8163	-1.4232		-0.8281	-1.0816	-0.9206	-1.0633	-2.0136	-0.6345	-1.3067	-1.0996	-1.0489	-1.3359
PC 32:3	-0.4110	-0.2985	-0.7054	-0.6412	-0.8866	-0.4061	-0.0855	-0.5080	-0.6801		-0.1958	-0.5830	-0.3020	-0.3918	-0.6490	-0.1735	-0.0230	-0.4834	-0.2711	-0.4393	-0.5748	-0.5818	-0.5890	-0.4737	-0.4978	-0.6181	-0.3783	-0.6236	-0.0471	-0.6215	-0.3398	-0.2849	-0.5060	-0.4410	-0.3040	-0.7760	-0.6135	-0.9293	-0.4603	-0.4312	-0.3784	-0.6254	-0.8585	-0.4901	-0.6083	-0.2910		-0.2642	-0.5626	-0.4191	-0.5937	-0.8395	-0.4420	-0.7314	-0.2702	-0.4640	-0.5432
PC 34:2	0.8867	0.9245	1.0255	1.1138	1.1577	0.8113	0.8512	1.0618	0.7017		0.9634	0.7692	0.9076	1.1278	0.7155	0.5966	1.1231	0.8094	0.9354	0.9226	0.9051	0.7592	1.0358	1.0106	0.6854	0.8438	0.5881	0.7569	0.9427	0.9364	1.1865	0.9317	1.0088	1.2163	1.1803	0.8155	1.1012	0.9944	0.9555	0.7911	1.0860	1.2174	1.1794	0.9362	0.9934	1.0151		1.0073	0.9203	1.0048	0.8464	0.6404	1.1454	0.6803	0.9051	0.8477	0.7345
PC 34:3	0.0641	0.0076	-0.2947	-0.1365	0.0403	-0.2307	-0.1510	-0.1252	-0.2243		-0.1173	-0.1394	-0.0673	-0.0677	-0.4399	0.1032	0.1202	-0.0197	0.1317	0.0138	-0.2737	-0.0127	-0.1842	-0.1145	0.1039	-0.0999	-0.0358	-0.1162	0.0339	-0.0468	-0.0522	0.0346	-0.0965	-0.0497	0.0113	-0.4622	-0.0533	-0.1046	-0.0047	-0.1140	0.0374	0.0582	-0.1459	-0.0855	0.1390	-0.2046		0.1209	-0.0119	-0.1268	-0.1281	-0.0609	-0.0069	-0.0862	-0.0410	0.0198	0.0071
PC 34:4	-0.0308	0.0570	-0.2619	-0.0437	-0.2173	-0.1385	-0.0027	-0.1072	-0.4076		-0.1045	-0.2136	-0.1851	0.1324	-0.3793	-0.0378	-0.0608	0.0356	-0.1924	-0.3031	-0.2799	-0.4123	-0.1985	-0.3012	-0.2152	-0.1134	-0.3659	-0.5921	-0.0520	-0.4883	-0.0014	-0.1989	-0.3143	-0.0288	-0.2475	-0.4322	-0.4169	-0.4432	-0.3768	-0.0458	-0.1138	-0.1783	-0.1715	-0.1941	-0.1665	-0.1163		-0.2278	-0.3770	-0.2198	-0.3789	-0.6056	-0.2175	-0.3207	-0.2763	0.0118	-0.4054
PC 34:5	-1.5443	-1.1826	-1.1065	-0.6789	-2.0810	-0.9752	-0.2826	-1.0995	-1.4358		-0.8190	-1.5969	-1.2319	-1.0302	-1.4391	-1.0961	-0.8789	-0.9944	-1.1529	-1.1735	-1.3485	-1.4031	-1.1757	-1.1562	-1.2628	-1.2617	-1.1379	-0.9231	-0.6887	-1.9569	-0.3505	-2.1788	-1.0519	-1.0153	-0.9702	-1.3953	-1.0799	-1.2463	-1.7468	-1.0133	-1.1836	-0.9428	-1.1218	-0.9899	-0.8847	-0.7351		-1.1547	-1.7527	-0.9257	-1.3027	-2.3963	-1.2032	-1.5118	-1.1748	-1.2643	-1.1394
PC 36:3	1.1435	0.3040	1.1827	1.0175	1.0969	0.7792	0.9508	0.1151	0.9085		1.1593	1.0523	1.0866	1.3909	0.9833	0.8874	1.0595	1.0109	1.3734	1.1364	1.1929	1.1184	1.0862	1.3776	1.1230	0.8624	1.0466	0.9643	1.1481	1.0369	1.0423	1.0730	1.2371	1.3842	0.3373	0.9030	1.1457	1.0924	1.3243	1.2745	1.2924	1.3863	1.2358	1.1872	0.9424	0.9887		0.0252	1.2897	1.0856	1.1226	1.0355	1.3858	0.9437	1.1981	1.1918	1.0975
PC 36:4	-0.5625	-0.6909	-0.4544	-0.7959	-0.6707	-0.3849	-0.7988	0.3639	0.6107		0.2004	0.0020	0.9623	-1.6650	-1.1151	-0.1081	-1.5144	0.7958	-0.6049	-0.8005	-0.8737	-1.6092	-1.2638	-1.0571	-0.6203	-0.1244	-0.3186	0.5090	-0.7434	-0.6017	-0.9298	-0.7121	-1.6813	-0.6659	-0.2097	-0.5247	-0.0405	-0.1829	0.0191	0.1969	-1.3788	-1.9249	0.2780	-0.0823	0.9146	-1.4522		0.3351	-1.4599	-1.1813	-0.5159	-1.2776	-0.2176	-1.7570	0.2820	-2.0764	-0.3547
PC 36:5	0.7725	0.6348	0.7906	0.7836	0.7628	0.6337	0.7008	0.7262	0.5221		0.7639	0.5960	0.6496	0.7374	0.5117	0.6465	0.7355	0.6995	0.6131	0.4591	0.6050	0.5095	0.6535	0.5919	0.6167	0.6446	0.3595	0.6088	0.6083	0.4000	0.7978	0.5246	0.5250	0.8187	0.6810	0.6306	0.6982	0.5244	0.5072	0.6147	0.7004	0.7213	0.6935	0.6098	0.7073	0.6377		0.4570	0.3785	0.7390	0.6240	0.3647	0.7017	0.4496	0.5132	0.6448	0.5012
PC 36:6	-0.3880	-0.1912	-0.5437	-1.0522	-0.2568	-2.0233	-0.1739	-0.4766	-1.5754		-0.3030	-0.5001	-0.4125	-0.3208	-0.6811	-0.3750	-1.3641	-0.2640	-0.9436	-0.4234	-0.6061	-0.3553	-0.7487	-0.4286	-0.4065	-0.4985	-0.1978	-0.1491	0.1051	-0.1831	-0.1248	-0.1227	-0.4052	-0.2187	-0.2587	-0.4767	-0.7648	-0.5111	-0.3082	-0.7389	-0.0655	-0.4294	-0.5424	-0.6003	-0.2275	-0.5338		-0.1132	0.0178	-0.2738	-0.6498	-0.3908	-0.1514	-0.4604	-0.3078	-0.4516	-0.4073
PC 38:6	1.5596	1.6080	1.4672	1.4374	1.5321	1.4836	1.4742	1.6913	1.7331		1.8402	1.7544	1.7828	1.7439	1.3769	1.6836	1.9189	1.3887	1.6203	1.5407	1.4454	1.5326	1.2779	1.5432	1.6452	1.6967	1.4779	1.6387	1.6523	1.6202	1.6891	1.6947	0.5171	1.5241	1.6963	1.6974	1.4735	1.3802	1.0893	1.5735	1.9275	1.5824	1.3391	1.6031	1.6332	1.3333		1.7727	1.2942	1.4197	1.6524	1.3392	1.7266	1.6862	1.0382	1.6453	1.4810
PC 38:7	-0.1214	-0.4265	-0.2087	-0.2971	-0.2211	-0.4068	0.1157	-0.5004	-0.0034		-0.0517	-0.0646	-0.0682	-0.3011	-0.1129	-0.1123	-0.3339	-0.4627	-0.1249	-0.2609	-0.4485	-0.3750	-0.1613	-0.1759	-0.0243	-0.3510	-0.4783	-0.2051	0.0578	-0.3426	-0.1615	-0.2357	0.0918	-0.3632	-0.5061	-0.3399	-0.0351	-0.2774	-0.1241	-0.1267	-0.0488	-0.0545	-0.2693	-0.3185	0.0483	-0.0567		-0.0806	-0.3858	-0.1496	-0.3391	-0.3659	-0.4930	-0.2494	-0.2775	-0.1325	-0.1900
PC 38:9	-1.1463	-0.8407	-1.6990	-1.4659	-1.3608	-1.1511	-0.7773	-1.1371	-1.2220		-0.5671	-1.1362	-1.1042	-1.2749	-1.4136	-1.0357	-0.8820	-1.2978	-0.9411	-1.1352	-1.3816	-1.0746	-1.4610	-1.0931	-1.6131	-1.2611	-1.0179	-0.9651	-1.0665	-1.2700	-1.1702	-1.1186	-1.2180	-1.3426	-1.2386	-1.1275	-1.3960	-1.4886	-1.7692	-1.1591	-0.8980	-1.1494	-1.3738	-1.3554	-1.3895	-0.8223		-1.1031	-1.0938	-1.2511	-1.2418	-1.6412	-1.2392	-1.2270	-1.1797	-1.8970	-1.0748
PC 40:6	1.0942	1.2446	1.0987	1.1420	1.1786	1.0775	1.3220	1.3677	1.0510		1.2626	1.3710	1.0929	1.4507	1.2435	1.0908	1.1293	1.2306	1.0589	1.4443	1.0896	1.0334	1.0040	1.2620	1.1894	1.0306	0.9343	0.9189	1.0796	1.1239	1.2981	1.1935	1.0083	1.2466	1.0390	0.8347	0.8569	1.1998	0.9870	1.1248	0.9880	1.0755	1.2263	1.0803	1.0941	1.0166		1.0978	1.2707	1.2553	1.0410	1.0670	0.9370	0.9100	1.0331	1.2668	0.9333
PC 40:7	0.0083	0.2837	0.0406	0.0752	0.1458	0.1034	-0.2477	0.3130	-0.1332		0.2811	0.2317	0.1578	0.4616	-0.7899	0.0420	0.0013	-0.0835	0.0350	0.4325	-0.0474	-0.0268	-0.6352	0.1340	0.0430	0.0766	-0.7505	-0.0644	0.1319	0.1860	0.3185	0.1848	0.2243	0.0159	0.0108	-0.1816	-0.0491	0.0857	-0.0500	0.0724	0.0588	0.1922	0.1456	-0.1052	0.0892	0.1241		0.1430	0.0973	0.2382	0.0161	-0.4614	-0.1018	-0.1253	-0.0726	0.1188	-0.0014
PC 42:10	-0.9016	-0.9960	-0.9608	-0.7617	-1.2858	-1.2585	-0.2950	-0.7961	-1.1064		-0.3482	-0.6643	-0.9923	-0.7538	-1.1123	-0.8069	-1.2492	-1.1338	-0.8089	-0.6347	-1.3667	-0.9777	-1.4831	-1.0778	-1.3017	-0.9406	-1.1278	-1.2761	-0.9823	-0.6580	-1.0322	-1.2135	-0.9469	-1.3756	-1.2723	-1.2621	-0.8053	-2.0284	-0.7035	-1.2880	-0.7761	-0.5863	-1.3392	-1.2748	-1.1439	-1.3251		-0.8581	-1.0081	-0.8369	-0.9456	-0.9337	-1.1875	-0.7969	-0.7538	-1.2139	-1.0826
PC 42:9	-0.1260	-0.0731	-0.1595	-0.1127	-0.2298	-0.0581	0.1097	-0.0946	-0.0180		0.1299	-0.0621	-0.0260	0.1136	-0.0705	0.0303	-0.2450	-0.0560	0.0088	0.1579	-0.2568	-0.1334	-0.1170	-0.0644	0.0343	-0.0465	-0.3533	-0.2581	-0.0312	0.0383	-0.0595	0.0220	0.1033	-0.1293	-0.2871	-0.2808	-0.2562	0.0479	-0.0626	-0.0652	-0.1188	-0.0085	-0.2244	-0.1611	-0.0409	-0.1562		0.0698	-0.0252	-0.0257	-0.1665	-0.0880	-0.1957	-0.2015	-0.0910	-0.0217	-0.1396
PC 44:12	-1.6736	-1.1997	-1.4108	-0.8456	-1.2676	-1.6978	-1.0318	-1.0261	-1.5037		-0.9282	-0.8483	-1.1070	-0.5050	-1.3075	-1.8688	-1.4214	-1.6756	-1.4651	-0.9593	-1.8540	-1.5762	-1.8750	-1.6430	-1.7237	-1.3610	-1.8968	-1.9422	-1.3206	-1.5540	-1.2715	-1.7633	-1.5288	-1.4591	-1.7673	-1.8585	-1.7906	-1.8032	-1.6359	-1.6952	-2.2249	-1.0990	-1.2088	-1.7393	-2.0654	-1.4894		-1.6014	-1.9891	-0.8901	-1.1557	-1.3879	-2.0061	-2.2029	-1.2777	-1.1645	-1.5202
PC O-32:0	-1.9542	-1.3341	-1.5353	-0.8575	-0.7495	-2.3417	-2.4040	-1.7771	-2.5295		-2.6746	-1.8520	-2.1470	-1.2350	-1.7550	-2.5540	-1.2838	-1.9847	-1.2062	-1.5430	-1.4586	-1.3541	-1.7523	-0.8884	-1.9313	-1.1662	-1.1625	-2.2841	-2.2494	-0.5441	-0.8626	-2.4221	-1.1817	-0.1645	-1.1866	-2.0150	-1.6330	-1.4085	-1.0645	-1.8881	-1.8537	-0.9865	-1.6702	-0.9944	-1.0255	-1.6587		-1.2846	-0.8792	-1.3250	-1.3695	-0.9842	-1.2529	-1.5243	-1.2023	-1.0949	-1.4648
PC O-32:2/ PC P-32:1	-1.1874	-1.0897	-1.8755	-0.8439	-0.8503	-1.3122	-1.6221	-1.0512	-1.7111		-1.5568	-1.3649	-1.7947	-0.7867	-1.1920	-1.5090	-1.1682	-1.3723	-1.0978	-1.0996	-1.1008	-1.4227	-1.0877	-1.0161	-1.3534	-1.3807	-1.2610	-1.3337	-1.3112	-1.1965	-1.3510	-1.2020	-1.1056	-0.5010	-0.9483	-1.5473	-1.1297	-1.2387	-0.7610	-1.0051	-1.3311	-1.2119	-1.3247	-0.6919	-1.2088	-1.4529		-0.9802	-0.8845	-0.9044	-1.5549	-1.1016	-1.0679	-1.9141	-1.0740	-0.9162	-1.5638
PC O-34:1/ PC P-34:0	-0.2961	0.0591	-0.2825	-0.0494	-0.1320	-0.3544	-0.3938	-0.2442	-0.5353		-0.5345	-0.2876	-0.4090	-0.0389	-0.2419	-0.3024	-0.2135	-0.2080	-0.1647	0.1124	-0.1629	-0.3065	-0.2272	0.2650	-0.2325	-0.3443	-0.0455	-0.2832	-0.2986	0.1246	-0.1808	-0.0546	-0.2428	0.3075	-0.1320	-0.4747	-0.4248	-0.0643	-0.1026	-0.1063	-0.1614	0.0559	-0.2670	-0.0734	-0.0415	-0.0876		-0.0712	0.0893	-0.0968	-0.1466	-0.1225	-0.0695	-0.4289	0.0013	0.0224	-0.3235
PC O-34:2/ PC P-34:1	-0.1550	-0.2160	-0.2824	-0.0592	0.0808	-0.2969	-0.4932	-0.2042	-0.4035		-0.5077	-0.3304	-0.5340	-0.0011	-0.1988	-0.4128	-0.2855	-0.3595	-0.2380	-0.1241	-0.2681	-0.4690	-0.2129	0.0957	-0.2668	-0.3867	-0.1845	-0.1961	-0.3446	-0.0956	-0.4264	-0.2411	-0.2143	0.3147	-0.1843	-0.4879	-0.5347	-0.1473	-0.1790	-0.0729	-0.3468	-0.1186	-0.4069	-0.0259	0.0024	-0.1237		-0.2091	-0.4901	0.0091	-0.0868	-0.0770	-0.3112	-0.4295	-0.0796	-0.0780	-0.4938
PC O-34:3/ PC P-34:2	-0.5649	-1.1552	-1.4725	-0.7541	-0.6305	-1.0286	-1.2269	-0.7601	-1.3632		-1.3087	-1.6477	-1.1124	-0.6323	-0.7240	-2.0250	-1.4500	-0.9383	-1.5086	-1.1259	-1.0768	-1.6417	-0.8965	-0.4502	-0.8859	-1.4902	-1.0186	-1.1335	-1.5054	-1.1557	-1.1414	-1.1891	-1.2152	-0.4034	-0.8557	-0.9689	-1.5541	-0.9727	-0.6687	-0.8421	-1.0327	-0.8177	-0.6589	-0.6004	-0.7121	-0.9293		-1.6243	-0.8910	-0.8610	-0.9139	-0.8524	-0.9802	-1.3399	-0.5785	-2.2085	-1.2210
PC O-36:2/ PC P-36:1	-0.7106	-0.8453	-0.8115	-0.7487	-0.6689	-1.2389	-1.4010	-0.8443	-0.9111		-1.2402	-1.3265	-0.8570	-0.7404	-0.7673	-1.2645	-0.8391	-1.0144	-0.7808	-0.5821	-0.8589	-0.9117	-0.9682	-0.3593	-0.7365	-1.0066	-0.6382	-0.8145	-0.8332	-0.4735	-0.8113	-0.5599	-0.7025	-0.5717	-0.7984	-1.0359	-1.3385	-0.5566	-0.6214	-0.7819	-0.5970	-0.7738	-0.6622	-0.8547	-0.7588	-0.8586		-0.7722	-0.4954	-0.8629	-0.7993	-0.6832	-0.7312	-0.8067	-0.6959	-0.5360	-0.6498
PC O-36:4/ PC P-36:3	-0.4282	-0.3822	-0.4145	-0.2976	-0.2321	-0.4471	-0.5933	-0.3970	-0.1907		-0.4805	-0.4769	-0.4069	-0.6122	-0.5451	-0.3297	-0.6389	-0.8036	-0.4167	-0.2511	-0.5493	-0.3864	-0.4284	-0.1108	-1.1750	-0.2803	-1.3967	-0.4290	-0.4132	-0.3088	-0.2935	-0.5094	0.1134	-0.2294	-0.4388	-0.4528	-0.1407	-0.1192	-0.5510	-0.2135	-0.4383	-0.4184	-0.7937	-0.3263	-0.2817	-0.0939		-0.2494	-0.2590	-0.6021	-0.3190	-0.2958	-0.8486	-0.3988	-0.4315	-0.5215	-0.6128
PC O-36:5/ PC P-36:4	-3.2706	-3.8851	-3.7611	-3.5620	-3.3286	-3.1621	-3.2893	-3.1578	-3.7459		-3.2919	-3.0987	-3.8543	-3.4897	-3.4343	-4.0278	-4.3367	-3.2467	-3.5541	-3.2523	-3.3675	-3.2987	-3.4954	-4.8055	-3.1153	-3.3346	-2.8294	-3.5621	-3.1481	-3.4191	-3.2242	-3.4709	-3.9977	-2.6577	-3.6027	-2.6434	-2.3895	-3.3389	-2.5821	-2.4855	-2.6660	-2.4986	-2.6535	-3.0086	-2.5957	-2.5084		-2.6018	-3.6061	-2.3606	-3.9685	-3.7929	-3.6842	-3.6543	-4.0646	-3.1255	-3.3974
PC O-38:4/ PC P-38:3	-0.5272	-0.4611	-0.5437	-0.6118	-0.6725	-0.5050	-0.4233	-0.6558	-0.7012		-0.9768	-0.9268	-0.7215	-0.7526	-0.5232	-0.2671	-0.6016	-0.8813	-0.8203	-0.5832	-0.4775	-0.3585	-0.6378	-0.5344	-0.3437	-0.5842	-0.4229	-0.9860	-0.2865	-0.5076	-0.8737	-0.6103	-0.3645	-0.6499	-0.5833	-0.6657	-0.4206	-0.3003	-0.4204	-0.8798	-0.7690	-0.6071	-0.9597	-0.5189	-0.2509	-0.4868		-0.4857	-0.1133	-0.7463	-0.6072	-0.0380	-0.2372	-0.3693	-0.6606	-0.4522	-0.6143
PC O-38:6/ PC P-38:5	1.4360	1.5554	1.2606	1.5092	1.4502	1.4473	1.5291	1.5151	1.4129		1.6616	1.1859	1.3202	1.5888	1.5772	1.3402	1.4800	1.4848	1.3564	1.5434	1.4463	1.3464	1.6254	1.6068	1.4953	1.2699	1.4810	1.1904	1.5159	1.4401	1.3939	1.4144	1.3831	1.6943	1.4438	1.2695	1.3489	1.5638	1.3289	1.2793	1.3852	1.4142	1.3445	1.4927	1.3893	1.1560		1.4937	1.6862	1.4842	1.4340	1.5420	1.5165	1.3261	1.4560	1.5480	1.2844
PC O-38:7/PC P-38:6	-0.1863	1.4890	1.2981	1.1473	1.1622	1.1068	1.3381	1.1977	1.2635		1.3527	1.4820	1.2362	1.4480	1.1718	1.0945	1.0145	1.2973	1.1658	1.6789	1.5702	-0.3018	1.5707	1.5824	1.2518	0.8733	1.3201	0.9141	1.0345	0.9780	1.0973	1.1234	0.8750	1.2188	-0.2338	1.0450	-0.2581	1.1641	1.1860	1.0759	0.8509	1.0570	1.0426	1.0918	1.3358	0.6661		0.9949	1.2462	1.2891	1.1630	0.8518	0.8692	0.8288	0.9543	1.2583	1.3029
PC O-38:8/ PC P-38:7	-1.3488	-1.3545	-1.2969	-1.5077	-1.1355	-1.3702	-0.7419	-1.3845	-1.1388		-1.3001	-1.0736	-1.1819	-1.1668	-1.4542	-1.3089	-1.5192	-1.3483	-1.6609	-1.2388	-1.3816	-1.4250	-1.3653	-1.1044	-1.5038	-1.5030	-1.3303	-1.8338	-1.4087	-1.2580	-1.4548	-1.2485	-0.9546	-1.6493	-1.5135	-1.1814	-1.2028	-1.1831	-0.9990	-1.2751	-1.4467	-1.1404	-1.7601	-1.6267	-1.0855	-1.1749		-1.1575	-1.1869	-1.1464	-1.1263	-1.5873	-1.5143	-1.4435	-1.1337	-1.3819	-1.4827
PC O-40:10/ PC P-40:9	-0.7238	-0.4567	-0.4093	-0.6409	-0.5177	-0.2789	-0.2084	0.0630	0.5632		0.6266	-0.2393	0.3160	-0.0407	-0.3262	-0.1063	-0.0261	-1.1444	-0.3933	-0.0746	-0.6261	-0.3610	0.1335	-0.2936	-0.4213	-0.2777	-0.9069	-0.3796	0.1926	-0.1683	-0.2648	-0.1785	0.6844	-0.1813	-0.3326	0.0910	-0.4766	0.0187	-2.2001	-0.3119	-0.0244	-2.1311	-1.5503	-0.1299	-0.2121	-2.3849		0.3550	0.3083	-0.6480	-0.3086	-0.6545	-0.2577	-0.4488	0.3164	-0.3397	-0.8353
PC O-40:7/ PC P-40:6	0.6216	0.7625	0.4472	0.7102	0.7654	0.6970	0.8575	0.8612	0.5617		0.8552	0.6732	0.4792	0.7764	0.9508	0.6656	0.7864	0.6636	0.4776	0.6952	0.5958	0.5254	0.7787	0.7299	0.5535	0.4250	0.6518	0.2396	0.6404	0.5985	0.6310	0.4999	0.5142	0.6632	0.4700	0.3970	0.5349	0.7660	0.4700	0.7322	0.5950	0.6615	0.5992	0.6131	0.6240	0.3667		0.6409	0.7676	0.8115	0.6076	0.6847	-0.3478	0.5371	0.7605	0.8273	0.3923
PC O-40:8/ PC P-40:7	0.0818	0.1387	0.0071	0.1203	0.1870	0.2092	0.5133	0.3600	0.3211		0.3474	0.3719	0.1851	0.4161	0.2098	0.0774	0.1623	-0.0157	-0.0888	0.3374	0.1321	-0.0277	0.2265	0.0610	-0.2228	-0.1763	-0.1225	-0.3275	0.1237	0.0588	0.2036	0.0367	0.0697	0.0508	-0.0500	-0.0216	-0.0455	0.1556	0.1694	0.1333	-0.0635	0.2565	0.0186	-0.0267	0.1630	-0.0289		0.0150	0.1805	0.3763	0.0579	-0.2820	-0.0235	-0.3084	0.1823	0.2396	-0.1934
PC O-40:9/ PC P-40:8	0.4547	0.4111	0.0579	0.3165	0.1936	0.4595	0.8022	0.4206	0.5768		0.9125	0.2258	0.3203	0.2099	0.5475	0.6416	0.2543	0.4749	0.2329	0.3115	0.2936	0.1909	0.5890	0.1966	0.5527	0.3999	0.2388	0.0538	0.4441	0.0744	0.1702	0.2174	0.3483	0.3633	-0.0376	0.3392	0.0993	0.2979	0.2225	0.3040	0.1823	0.1551	-0.1716	0.3164	0.2899	0.0997		0.1423	0.3086	0.3556	0.3312	0.3331	0.2547	0.2636	0.1049	0.4767	0.1471
PC O-42:10/ PC P-42:9	-1.3166	-0.6132	-0.9783	-0.7405	-0.5638	-0.6255	-0.7027	-0.6629	-0.6775		-0.3729	-1.1737	-0.7974	-0.8402	-0.6667	-0.5321	-0.7821	-0.8362	-1.0157	-0.5543	-0.9737	-1.1488	-0.6962	-0.8098	-0.7166	-0.8046	-0.5918	-0.8863	-0.4094	-0.7432	-1.1647	-1.0178	-0.7668	-0.6498	-0.7807	-0.6225	-0.8225	-0.5846	-0.5948	-0.7453	-0.9659	-0.5873	-1.3485	-0.6997	-0.8152	-0.7970		-0.5633	-0.7519	-1.0085	-1.0668	-0.9241	-0.8396	-0.8148	-0.5906	-0.7077	-0.6754
PC O-44:6/ PC P-44:5	-3.3616	-2.7734	-3.5706	-2.9830	-2.7074	-2.6209	-2.4649	-2.6153	-3.0878		-2.5455	-3.3306	-2.6934	-2.7637	-2.4394	-3.3305	-2.5371	-3.1540	-2.1386	-2.2553	-2.9068	-3.1310	-2.5260	-3.0916	-2.2694	-2.9885	-3.1141	-2.6880	-2.1655	-3.4548	-2.7302	-3.3530	-2.5130	-2.2019	-2.7893	-2.8606	-4.6896	-1.7979	-2.8777	-3.1752	-2.2849	-3.3360	-2.7545	-3.4175	-2.8945	-3.1899		-3.1040	-2.9254	-2.7029	-3.4233	-3.1864	-3.1742	-2.1180	-2.6578	-3.4113	-2.5877
PE 34:1	-0.7245	-2.1887	-0.2560	-0.5086	-0.8695	-1.0372	-1.1292	-0.8651	-0.9459		-0.9221	-0.4110	-0.8436	-0.4775	-0.9300	-0.5969	-0.8597	-1.9168	-0.4963	-1.9280	-1.0360	-1.0591	-1.2544	-1.3782	-0.7106	-0.7257	-1.2782	-0.9499	-0.9933	-1.1754	-0.9023	-1.0494	-1.3549	-0.8570	-0.6495	-0.9348	-0.5407	-1.1073	-0.8801	-0.7700	-1.0779	-0.9631	-2.7782	-0.6493	-0.9317	-1.2474		-1.1771	-1.3477	-1.4045	-0.8353	-0.8157	-1.2983	-0.9403	-0.7299	-0.6158	-0.9774
PE 34:2	-0.3236	-0.3788	-0.2133	-0.1158	-0.1901	-0.6170	-0.6169	-0.3760	-0.8015		-0.3828	-0.0719	-0.5157	-0.1988	-0.5107	-0.3826	-0.4965	-0.8103	-0.2399	-0.9064	-0.2762	-0.6941	-0.6241	-0.5343	-0.5256	-0.3042	-1.0566	-0.4514	-0.6029	-0.6623	-0.1615	-0.5603	-0.6263	-0.4076	-0.3993	-0.4413	-0.1372	-2.0813	-0.5479	-0.2034	-0.5453	-0.2535	-0.4666	-0.2273	-0.5269	-0.3692		-0.6591	-1.0521	-0.3601	-0.3243	-0.7176	-0.3479	-0.6223	-0.4966	-0.3815	-0.9888
PE 36:2	-2.3556	-2.2381	-2.6568	-2.0398	-1.9936	-2.3592	-2.3525	-1.5740	-3.7302		-3.5181	-2.7644	-1.8080	-2.1730	-2.5378	-2.5602	-2.4939	-2.3740	-2.3781	-2.2189	-2.2077	-1.7748	-1.7268	-2.1953	-2.4464	-1.2491	-2.6740	-3.5401	-2.1943	-2.0381	-1.2249	-2.4170	-1.7527	-1.6306	-0.9427	-2.0176	-2.9508	-3.3648	-2.2360	-1.6460	-2.2814	-1.4526	-1.9143	-1.3620	-1.6691	-2.0538		-1.2404	-2.4384	-2.4745	-2.0678	-2.2590	-2.1508	-1.9198	-1.4932	-1.6165	-2.3546
PE 36:3	-1.0859	-0.5038	-0.6673	-0.4286	-0.4856	-1.4407	-0.4313	-0.6953	-1.5969		-1.4428	-0.5918	-0.8265	-0.4541	-0.7422	-0.7991	-1.0830	-1.4906	-0.4749	-0.6655	-0.6551	-1.5473	-0.7867	-0.4856	-0.7554	-0.8232	-1.2471	-0.9466	-0.8648	-1.2430	-0.3893	-1.0039	-1.1757	-0.7175	-0.5441	-1.1231	-0.6789	-1.0272	-0.5217	-2.1137	-0.5662	-0.5998	-1.3313	-0.6246	-1.3545	-0.9150		-1.0004	-0.6428	-0.7897	-0.2045	-0.9082	-0.8451	-0.8560	-0.4322	-0.6649	-1.0664
PE 36:4	-1.1199	-0.9882	-0.9881	-1.0975	-1.1697	-1.3959	-0.7645	-1.2431	-1.1000		-1.0844	-0.9325	-1.1128	-1.0224	-1.2325	-0.8922	-1.3716	-1.3505	-0.9303	-1.1151	-1.0264	-1.2739	-1.0240	-0.8720	-1.1742	-1.0180	-1.0331	-1.0571	-0.7164	-1.1392	-0.7725	-1.1967	-1.0572	-0.9475	-0.7868	-0.9712	-0.6354	-1.4050	-0.8096	-0.9854	-0.9229	-0.7736	-1.0726	-1.1583	-0.7854	-1.1127		-1.1640	-1.2019	-0.7851	-0.9152	-1.1320	-0.9225	-0.9863	-1.0135	-0.7853	-0.9961
PE 38:4	0.0191	-0.0924	-0.2961	-0.0957	-0.0255	-0.2422	-0.2851	0.0177	-0.0918		-0.1164	0.3272	-0.1127	-0.2547	-0.1254	-0.0986	-0.4837	-0.5790	0.3733	0.0251	-0.1262	0.1743	-0.8424	-0.2244	0.3543	0.0769	0.3938	0.1621	0.8339	0.4811	-0.7701	0.0132	0.0358	-0.0063	0.4113	0.0976	0.8053	-0.1491	0.4078	0.1906	0.0350	0.0595	-0.2379	0.1892	0.1820	-0.1439		0.1674	-0.0695	0.2146	0.1666	0.2518	0.1208	0.1828	0.2382	0.2810	0.4124
PE 38:6	-0.8020	-0.3152	-0.1681	0.0615	0.1019	-0.1132	-0.1389	-0.0160	-0.4206		0.0455	0.1942	-0.0829	-0.2838	-1.0502	0.0126	-0.1305	-0.3347	0.4526	0.5069	0.6029	-0.4717	0.4078	-0.4465	0.5251	0.6943	0.8964	0.9883	-0.0591	0.3609	0.2488	0.2009	0.1749	0.5112	0.6830	0.7229	0.9227	0.2808	0.7842	0.3358	0.3464	0.4559	0.2564	0.6153	0.1961	0.5310		0.5275	0.5230	-0.2797	0.5492	0.1424	0.1874	0.3127	0.6624	0.2956	0.7330
PE 40:4	-2.1923	-2.4828	-2.2426	-2.1728	-2.0391	-2.1050	-2.2550	-2.1481	-3.1539		-3.0666	-2.0643	-2.7786	-2.3424	-2.1743	-1.9791	-2.3864	-3.2889	-1.8974	-2.1650	-2.0477	-1.8898	-2.0872	-1.9404	-1.9598	-1.6348	-2.5570	-2.8628	-2.2425	-2.0524	-2.0991	-2.1168	-1.6867	-1.7927	-1.9781	-2.1685	-1.8502	-2.1993	-1.7795	-1.9974	-2.9976	-1.8888	-2.4202	-1.7830	-1.5251	-2.0198		-1.9699	-2.1023	-2.3649	-1.6893	-2.1145	-1.8248	-1.7219	-1.8517	-1.9221	-2.4047
PE 40:6	-0.1247	0.3184	0.1233	0.1985	-0.4280	-0.2609	-0.5159	0.2303	-0.1134		-0.0548	0.5682	0.0909	0.0366	0.0548	-0.0799	-0.1786	-0.0684	0.4485	0.3071	-0.6562	-0.1916	-0.1229	-0.2826	0.2387	0.3749	0.5751	0.3653	0.6463	0.5693	0.1706	0.5846	-0.0852	0.2827	0.5813	0.2081	0.9373	0.2633	0.4600	0.4021	0.0710	0.0414	0.1535	0.2872	0.0395	-0.1848		0.2428	0.1899	0.1148	0.2760	0.2672	-0.0113	0.2209	0.2003	0.4345	0.4130
PE 40:7	-0.9303	-0.7170	-0.8130	-0.3567	-1.3923	-1.3642	-1.4439	-0.7143	-1.1734		-0.6758	-0.9207	-1.0044	-1.1595	-1.2376	-0.7960	-1.3058	-1.2426	-0.3990	-0.5007	-0.9860	-0.5713	-0.7245	-1.0648	-0.6792	-0.4315	-1.0509	-0.6290	-1.2633	0.0717	-0.2713	-0.3353	-0.5962	-0.5977	-0.7490	-0.5389	-0.6330	-0.6942	-0.3928	-0.7093	-0.8276	-0.5329	-0.4766	-0.7689	-0.6357	-0.5692		-0.6587	-0.3215	-0.7246	-0.6290	-0.8333	-0.4584	-0.7204	-0.7879	-0.5092	-0.9908
PE O-34:2/ PE P-34:1	-1.0753	-0.3753	-0.8295	-0.6487	-0.6252	-1.7168	-0.9658	-1.1157	-1.3075		-1.7442	-1.8373	-0.5936	-0.5327	-1.5152	-1.4394	-1.0809	-1.1751	-2.0335	-1.2671	-0.8064	-0.8054	-1.7931	-0.3780	-1.8857	-1.2489	-1.2753	-1.1287	-1.1380	-1.3629	-0.8694	-1.9436	-1.2096	-1.1484	-0.3358	-2.6655	-1.8427	-1.5545	-1.2722	-1.0789	-1.1354	-1.7209	-1.1722	-0.6000	-0.5573	-0.8573		-0.6213	-1.3649	-1.7736	-1.3655	-0.8920	-1.3245	-1.5327	-0.2116	-1.3223	-2.2841
PE O-36:3/ PE P-36:2	-0.7357	-0.8429	-0.7613	-1.4474	-1.0334	-1.2118	-1.0829	-1.1735	-1.1946		-1.5984	-2.1395	-0.7476	-1.1612	-1.3761	-1.0344	-0.8488	-2.4063	-1.9910	-1.7508	-1.2587	-1.2473	-1.4778	-2.1627	-2.2306	-0.9259	-2.3198	-0.8770	-1.2125	-1.8774	-1.3090	-2.3243	-1.7745	-1.8631	-1.0685	-2.0152	-1.8642	-2.2232	-1.2828	-1.7274	-1.2950	-2.1738	-2.0866	-0.9992	-1.9265	-1.6312		-2.4658	-1.8285	-1.6307	-1.0760	-2.0169	-1.7741	-1.3463	-0.6071	-1.1425	-1.6374
PE O-36:5/PE P-36:4	-0.4932	-0.7572	-0.6999	-1.0396	-0.8282	-0.8416	-0.8773	-0.7929	-1.3970		-0.6843	-0.8427	-0.6375	-1.0534	-0.8755	-0.5044	-0.5915	-1.0080	-0.6560	-0.3377	-0.4850	-0.3161	-0.3440	-0.3121	-0.3949	-0.3214	-0.0973	0.1029	-0.0889	-0.0658	-0.5461	-0.3040	-0.0549	-0.4939	-0.5280	-0.1796	-0.3368	-0.5857	-0.3976	-0.4434	-0.5877	-0.4886	-0.3903	-0.5761	-0.2171	-0.1438		-0.3336	-0.2269	-0.5543	-0.2207	-0.4891	-0.3965	-0.3473	-0.2359	-0.5727	-0.4796
PE O-38:6/ PE P-38:5	0.4170	0.1584	0.2626	0.2054	0.3755	0.1345	0.1642	0.4077	1.0495		0.4537	-0.0080	0.0522	-0.2111	0.3748	0.3220	0.2669	0.5491	1.0779	1.0083	1.0370	1.1472	1.0753	0.8041	1.2005	1.0305	1.3909	1.8697	0.0585	1.5358	0.9209	0.4394	0.9506	1.0548	0.7886	1.1164	1.2341	1.1324	1.0749	1.0132	0.6172	0.8555	0.7873	1.0586	0.7835	0.8626		0.9610	0.9878	0.9239	1.3180	1.1776	0.9674	0.9807	1.2074	0.8014	1.1045
PE O-38:7/PE P-38:6	0.6380	0.3064	0.1941	0.2788	-0.0777	-0.2210	-0.5626	0.3027	0.9077		0.4122	0.4655	0.5386	-0.2096	0.4892	0.4431	0.1116	0.4403	0.7467	0.8004	1.0170	0.7847	0.8730	0.9812	0.8988	0.5787	1.1930	1.6439	2.2237	0.0349	0.1742	2.2390	0.6771	0.4122	0.6681	0.5872	1.2256	1.0627	0.8828	1.2666	0.7362	0.3305	0.6280	0.5994	0.5187	0.5996		0.6627	0.7546	1.1798	1.2288	1.1623	1.2780	0.9466	0.9928	0.9822	1.1189
PE O-40:7	0.7940	-1.3053	0.7078	0.5879	0.5252	0.0373	0.5247	0.7035	0.2686		0.5184	1.1296	0.6062	0.4593	0.3717	0.0495	0.1325	0.0402	0.7784	0.7651	0.2690	-0.6299	-1.2274	-0.4768	0.5649	0.4271	0.5933	-0.1683	0.5519	0.1359	0.3743	0.1492	0.0696	0.2022	0.9176	0.5605	1.2170	0.4349	0.7252	0.3916	0.0415	0.5189	0.2927	0.4708	0.4097	-0.2667		0.7129	0.0220	-0.1337	0.0372	0.0402	-0.0892	0.2880	0.3667	0.4980	0.6620
PE O-40:8	-0.5528	-0.7058	-0.7917	-1.2409	-1.3118	-0.9522	-0.4857	-0.7655	-0.4721		-0.8950	-0.4927	-0.7120	-0.8539	-0.5500	-0.7293	-0.8671	-0.9102	-0.6922	-0.5079	-0.4072	-0.6390	-0.5509	-0.4039	-0.6527	-0.6523	-0.5763	-0.5197	-0.1687	-0.2649	-0.6211	-0.3320	-0.6578	-0.8469	-0.6147	-0.6635	-0.4195	-0.5686	-0.5037	-0.5728	-0.6532	-0.7193	-0.5538	-0.8111	-0.5372	-0.8206		-0.7435	-0.4574	-0.3771	-0.3638	-0.5456	-0.4001	-0.4958	-0.5193	-0.4044	-0.6256
PE O-40:9/ PE P-40:8	-0.0566	-0.2039	-0.3702	-0.7900	0.1467	-0.6930	-0.8948	-0.2395	-0.0790		-0.1416	-0.5782	-0.4241	-0.6111	-0.1093	-0.1678	-0.2823	-0.0649	0.1499	0.0548	0.0899	0.2773	0.2562	0.2601	0.3031	0.1266	0.4394	0.5250	0.5339	0.3263	-0.3847	0.7330	0.0950	0.1921	-0.0727	0.1375	0.3358	0.3631	0.1277	0.2650	0.0520	-0.1207	-0.0772	0.1500	-0.0771	-0.0317		0.1198	0.1924	0.1092	0.2880	0.5166	0.3959	0.2547	0.2543	0.1237	0.2757
PE O-42:10/ PE P-42:9	-1.3263	-1.2894	-1.4272	-0.6571	-1.2759	-1.9583	-0.8782	-1.3612	-2.2264		-1.4980	-1.6408	-1.3150	-1.2438	-1.2285	-1.3165	-1.2695	-1.1888	-1.1589	-0.5959	-1.0494	-0.8047	-0.6111	-1.0025	-1.0552	-0.7438	-1.3700	-1.6443	-0.6744	-0.7263	-0.6095	-1.5984	-0.5282	-0.8436	-1.1327	-0.8695	-1.2399	-0.8140	-0.7877	-1.1791	-0.7279	-0.8563	-0.7616	-0.9133	-0.5863	-0.8951		-0.6413	-0.5063	-1.1877	-0.9585	-0.9302	-0.8081	-1.2060	-0.9379	-1.1668	-1.0462
PE P-40:6	-0.2045	-0.4210	-0.5321	-0.2841	-0.2022	-0.6076	-0.2271	-0.3620	-0.4614		-0.4701	-0.2924	-0.4301	-0.5086	-0.1085	-0.2411	-0.2621	-0.4652	-0.4557	-0.3332	-0.2492	-0.3985	-0.2864	-0.3194	-0.3684	-0.3443	-2.0694	-0.9269	-0.3390	-0.4674	-0.2777	-0.5986	-0.6576	-0.5509	-0.4304	-0.5067	-0.2998	-0.5660	-0.4916	-0.4014	-0.4977	-0.4602	-0.3798	-0.5291	-0.6222	-0.7775		-0.6574	-0.3615	-0.4130	-0.2494	-0.2983	-1.0882	-0.2744	-0.3484	-0.1634	-0.5966
PE P-40:7	0.0476	0.1962	0.0035	-0.2895	0.1095	-0.3474	0.2697	0.1317	0.3358		0.0766	0.1644	0.1279	0.1612	0.3287	0.1674	0.0439	-0.2201	0.2223	-0.2177	-0.1294	0.1220	0.1818	0.0777	0.3603	0.1174	0.2514	0.0371	0.2500	0.1765	0.3752	0.1620	0.0439	-0.0113	0.2746	0.0871	0.3936	-0.0215	0.1261	0.0526	-0.0966	0.0400	0.0235	0.0266	0.0832	-0.0537		-0.0780	0.0276	0.2943	0.3044	0.0060	0.0944	0.1806	0.2300	0.3367	0.1032
PG 34:1	-1.0040	-1.4772	-1.4698	-1.2602	-1.3165	-1.4785	-1.1481	-1.3827	-1.2666		-1.3150	-0.9000	-1.2222	-1.0249	-1.4889	-1.3655	-1.4369	-1.5369	-1.5283	-0.9785	-1.4774	-1.3310	-1.3245	-1.0245	-1.5477	-1.3352	-1.2000	-1.3943	-1.1816	-1.2918	-1.1020	-1.2814	-1.3212	-1.2209	-0.9357	-1.1963	-0.9490	-1.2864	-1.0270	-1.3783	-1.0017	-1.4157	-1.3274	-1.3219	-1.3052	-1.4908		-1.3809	-0.9116	-1.2485	-1.0488	-1.2040	-1.2455	-1.4271	-1.3350	-1.1364	-1.3276
Phenylacetylglutamine	0.6199	0.7931	0.3275	1.2409	0.7915	1.4581	0.2240	0.0515	1.0548	-0.2246	1.1383	0.4849	0.7052	0.8309	0.8639	-0.3988	0.4208	1.0318	-0.3353	-0.0144	0.6481	-0.3138	0.1769	0.4108	-0.3705	0.5800	0.7328	-0.9939	0.5477	0.0337	-0.9901	-0.1671	0.6165	0.6865	0.6186	0.3835	-0.2747	-0.2008	-0.1625	0.0428	0.5579	0.3005	0.4206	0.5976	0.5986	-0.0033	0.1505	-0.5179	0.3412	0.4749	-0.0896	-0.1429	0.0736	-0.4368	0.6321	0.4832	-0.2875
Phosphate	0.7701	0.9283	0.8319	1.0498	0.9192	1.0635	0.8128	1.0625	0.7620	-0.3847	0.9833	1.1612	0.9795	1.0396	1.0840	0.8974	0.9982	0.1748	0.9583	0.9210	0.8556	0.9771	0.8452	1.3942	0.8609	-0.0604	-0.2017	0.9228	0.2862	0.8619	1.1477	0.6842	1.2593	0.9229	0.9258	0.8962	1.1325	1.0791	1.2725	1.3780	1.0853	1.3391	0.1990	1.0832	0.7573	1.0301	1.0135	1.3000	1.0240	1.0326	1.1029	1.3547	1.2520	1.3692	1.2924	0.0572	1.1229
Phosphoenolpyruvic acid	1.3065	1.0390	1.0125	1.4215	0.9920	1.2802	1.8807	1.4243	1.3059	1.5154	1.6685	1.6048	1.1182	0.8569	1.1668	1.4927	1.0533	0.2339	1.2538	1.2786	1.2438	0.9095	1.3404	0.6952	1.6433	1.0168	1.0949	1.6963	1.1170	1.0760	1.3045	0.6435	1.2915	0.7705	0.6604	0.9648	1.1024	1.4488	1.1800	1.3583	1.4601	1.0108	1.5134	1.0472	0.1862	1.6161	1.2715	0.9052	1.1341	1.3807	1.6546	0.7776	0.8644	1.7025	0.2944	1.0174	1.3511
Phosphorylcholine	1.1074	1.1287	1.0717	1.3740	1.0020	0.8000	1.3769	1.2446	1.1188	1.2710	1.0463	1.3556	1.1626	1.2900	1.2224	0.9661	1.1301	1.0787	1.1923	1.1669	1.1922	1.3448	1.1252	1.4856	0.8059	1.2906	0.4190	0.9865	1.1832	1.0720	1.4556	1.1225	1.0334	0.9261	1.2766	1.1626	1.2874	1.1947	1.1506	1.2293	1.1788	1.3574	1.0973	1.1686	1.0294	1.1622	1.2703	1.0945	1.3092	1.2127	1.3028	1.0680	1.0447	1.2190	1.3156	1.1627	1.1579
PI 32:0	-3.1814	-3.6144	-2.6988	-2.3265	-2.4308	-2.6608	-3.2822	-1.9952	-4.0304		-2.5078	-3.4445	-2.7659	-1.8583	-2.9586	-2.9138	-3.4012	-2.6695	-2.9799	-2.3366	-2.8033	-2.7212	-4.0119	-3.5904	-2.5433	-1.8129	-2.3283	-2.1850	-2.9673	-2.6144	-3.4879	-2.5809	-2.3685	-3.3768	-1.8373	-2.5292	-2.5421	-2.6176	-2.5336	-2.3327	-3.2794	-2.5763	-2.5961	-2.2781	-3.1063	-3.3193		-2.1219	-3.2600	-3.1709	-3.3851	-2.9345	-3.0141	-2.4387	-3.0174	-3.2608	-3.2869
PI 34:1	-1.4194	-0.7921	-1.0322	-0.8634	-1.0866	-1.2501	-1.1415	-1.1027	-1.2139		-1.0358	-1.0809	-1.2302	-0.7131	-1.1329	-0.9123	-1.0330	-1.2275	-1.2315	-1.2159	-1.2256	-1.1453	-1.2040	-0.5390	-1.1856	-1.1621	-1.2420	-1.0889	-1.2687	-1.1908	-0.9741	-1.1141	-1.3883	-0.8355	-1.1057	-1.5767	-1.2961	-1.3250	-1.4137	-1.3531	-0.9867	-1.0574	-2.0705	-0.9188	-1.4409	-1.1842		-1.1786	-1.2142	-0.9209	-1.2016	-1.1896	-1.3543	-1.2630	-1.0089	-0.7967	-1.4700
PI 34:2	-2.1757	-1.6923	-1.6756	-1.9464	-1.7454	-1.9656	-1.8506	-1.7520	-2.1003		-1.6830	-2.0011	-1.9685	-1.7565	-2.1792	-1.9321	-2.0371	-1.8883	-2.0670	-2.3391	-1.8969	-2.1788	-1.9302	-1.6817	-2.1337	-1.8864	-3.3930	-2.0749	-2.0543	-2.1232	-1.7742	-2.2008	-2.2000	-1.5685	-1.8503	-2.3431	-2.1556	-3.2853	-2.4569	-1.6148	-2.0811	-1.5300	-2.3512	-1.8589	-2.1510	-2.2073		-2.1205	-2.6331	-1.7950	-2.1569	-2.2961	-1.9679	-2.2841	-1.8023	-1.8017	-2.1622
PI 36:3	-2.0686	-1.6704	-1.9599	-2.6232	-2.3520	-2.3137	-1.7637	-2.2307	-2.0641		-1.8852	-2.3025	-2.1390	-1.9627	-1.9725	-1.9900	-2.1780	-2.1199	-2.0047	-1.9309	-1.8287	-1.7946	-1.9276	-1.7762	-2.0285	-1.6881	-2.0331	-1.5714	-1.4627	-2.3932	-1.3960	-1.7811	-2.0799	-1.8130	-1.5237	-2.4663	-1.9856	-2.3279	-2.0863	-1.4529	-1.8964	-1.9811	-2.2054	-1.7992	-1.9399	-2.1030		-2.1635	-1.9986	-1.5158	-1.7547	-1.7606	-2.0125	-1.9005	-1.9627	-1.8422	-1.9404
Pipecolinic acid	2.6202	2.5709	2.4358	2.5945	2.6233	2.5541	2.5793	2.6676	2.6522	2.8112	2.5402	2.6227	2.5298	2.5283	2.3112	2.8007	2.5498	2.5917	2.6749	2.8037	2.6960	2.8291	2.9385	2.8402	2.7417	2.8936	2.7699	2.7550	2.8205	2.7824	2.7173	2.5495	2.9258	2.6027	2.6662	2.3600	2.6674	2.7844	2.8882	2.7241	2.7513	2.6590	2.6323	2.4239	2.5146	2.7926	2.6699	2.9963	2.7937	2.6851	2.8140	2.7663	2.7194	2.6944	2.6738	2.7975	2.7016
Piperidine	2.1105	2.0451	1.9686	2.1219	2.1847	2.0032	2.0708	2.1051	2.1252	2.2031	2.0102	2.0708	2.0399	2.1532	2.0335	2.1863	2.0438	2.1666	2.1907	2.3373	2.2457	2.3382	2.3576	2.3075	2.1191	2.3758	2.2858	2.2053	2.3241	2.1858	2.1680	2.2127	2.4186	2.0262	2.1934	1.9863	2.2392	2.3127	2.3812	2.2596	2.2197	2.2602	2.0317	2.0326	2.2387	2.1741	2.1174	2.4865	2.2846	2.1608	2.2937	2.3081	2.2564	2.1520	2.1358	2.2096	2.1501
Proline	2.8204	2.8406	2.7381	2.9757	2.5742	2.8980	2.9613	2.9503	3.1077	3.1710	2.6750	2.8228	2.9187	3.1015	2.5458	3.1187	2.7691	3.0178	2.9076	3.1847	2.9990	3.1982	3.3490	2.9501	2.8320	3.3846	3.0131	2.9857	3.1784	3.1222	3.1269	2.7529	3.1135	3.0292	3.0221	2.5832	2.9816	3.0322	3.2118	3.0578	2.9278	3.1095	2.7531	2.8197	2.8765	2.9173	2.8669	3.5305	2.8296	2.9266	3.1262	3.1931	2.5512	2.9662	2.8730	3.2189	2.7626
Propionylcarnitine	1.1082	0.8703	1.5220	1.0061	1.2481	1.1371	0.8943	0.9437	1.4608		1.1151	0.8723	1.2278	0.6341	1.3064	0.9258	1.4413	0.6979	1.0275	0.6907	0.7917	1.1249	1.0807	1.3352	0.9943	1.0755	1.2547	0.9715	0.8630	1.0645	1.3123	1.0149	0.9323	1.7011	1.3020	1.0196	1.1067	1.1186	1.0543	1.2664	1.0374	1.1074	1.0626	1.2262	1.0805	1.3460		0.8232	0.9089	1.1257	1.0458	0.9703	0.8720	1.2692	1.4492	1.0794	1.3471
PS 34:1	-2.0482	-2.2507	-2.3980	-2.8219	-2.5594	-2.5273	-2.8405	-2.4989	-1.8961		-2.2543	-2.1484	-2.4003	-2.2195	-2.2283	-1.9729	-2.2535	-2.8611	-2.3689	-2.1825	-2.2069	-2.2033	-1.8419	-2.1222	-2.1441	-2.0305	-2.1464	-1.7693	-1.5266	-2.6883	-1.6509	-1.4561	-2.5772	-2.3157	-2.0135	-2.3067	-2.0860	-2.2273	-2.3747	-1.9367	-2.0780	-2.7337	-2.2923	-2.0457	-2.3550	-2.1287		-2.0484	-2.2034	-2.2952	-2.2118	-1.5689	-2.2676	-2.0635	-2.0616	-2.1214	-2.0663
PS 34:2;3O	-0.9086	-0.7299	-0.9323	-0.5568	-0.6901	-0.8554	-1.0201	-0.7857	-1.1256		-0.5635	-0.8610	-0.7280	-0.9168	-1.0630	-0.8005	-0.7968	-1.0072	-0.8281	-0.7151	-0.6877	-0.7274	-0.9448	-1.0506	-0.7161	-0.5466	-2.0950	-1.2530	-0.6406	-1.3262	-0.2916	-0.7671	-0.9921	-0.7167	-0.7097	-0.8527	-0.8879	-0.8118	-0.9977	-0.9838	-0.7624	-0.9085	-0.7475	-1.0488	-0.8654	-0.4443		-0.8255	-0.5926	-1.0706	-0.7474	-0.9878	-0.8166	-1.0302	-1.0761	-0.8016	-0.9725
PS 36:1	-1.1010	-0.9459	-1.2371	-0.8778	-1.0971	-1.1795	-1.1651	-1.2585	-0.3770		-1.0441	-1.0647	-0.9225	-1.2246	-1.1911	-1.0312	-0.9090	-2.4537	-1.2922	-1.0066	-1.4182	-1.2661	-0.8301	-1.1979	-1.1302	-0.7909	-1.2265	-0.9261	-0.8791	-1.5812	-0.8422	-0.9300	-0.6613	-1.2123	-0.8746	-1.1499	-1.0387	-1.1039	-0.9837	-1.2161	-0.8227	-1.7214	-1.5088	-0.8975	-1.1721	-0.5937		-1.0261	-1.0576	-1.4791	-1.1001	-0.5647	-1.3533	-0.9914	-1.0994	-0.9863	-1.2178
PS 36:2	-1.5169	-1.5027	-1.5924	-1.2322	-1.5127	-1.7791	-1.6519	-1.7343	-1.2132		-1.4106	-1.5445	-1.4969	-1.5857	-1.8603	-1.6305	-1.4575	-2.6003	-1.6713	-1.6747	-1.6608	-1.6870	-1.3377	-1.6545	-2.5337	-1.6916	-1.9843	-1.5780	-1.7125	-2.1202	-1.1875	-1.6386	-1.4251	-1.7354	-1.4303	-1.6853	-1.4497	-1.6168	-1.7476	-1.8526	-1.4029	-1.7889	-1.8266	-1.5348	-1.8185	-1.2546		-1.6287	-1.6675	-1.6778	-1.4613	-1.2092	-2.1429	-2.1605	-1.7913	-1.4708	-2.1733
PS 36:3;3O	-2.8356	-1.4666	-3.0372	-1.9661	-2.0117	-2.2006	-2.0745	-2.2321	-2.4427		-1.4437	-1.4505	-3.1313	-1.9206	-2.6070	-1.8232	-1.8452	-2.4091	-3.0325	-2.0174	-2.9383	-2.1241	-2.6694	-1.9419	-2.9954	-2.1602	-1.9380	-2.4372	-2.2039	-3.0559	-1.8999	-2.2873	-2.6566	-2.2763	-1.9197	-2.7911	-1.7473	-1.5267	-2.0657	-1.9114	-3.3184	-1.9236	-2.3245	-1.8231	-1.9823	-2.4600		-1.7731	-2.2281	-1.8688	-2.4264	-2.3526	-3.3881	-2.2864	-1.9859	-2.0646	-1.4266
PS 38:4	-0.9831	-0.7142	-0.7832	-0.7868	-0.5405	-1.1755	-0.6063	-1.2482	-0.7233		-0.8398	-0.7898	-0.8504	-0.9546	-0.4658	-0.7191	-0.8760	-0.9930	-0.5136	-0.7057	-0.3709	-0.6003	-0.8439	-0.4733	-0.8211	-0.8184	-0.3989	-0.6739	-0.4090	-1.2645	-0.5890	-0.4429	-0.4872	-0.8053	-0.5538	-0.7027	-0.2909	-0.8850	-0.4739	-0.6767	-0.5053	-0.5197	-0.7541	-0.7183	-0.5825	-0.7588		-0.5320	-0.6945	-0.4161	-0.6753	-0.7508	-0.3632	-0.7384	-0.5311	-0.5667	-0.5648
PS 40:6	-1.0737	-0.8985	-0.9627	0.0659	-1.4941	-0.4439	-0.6603	-0.9590	-0.1180		-0.9539	-0.9407	-1.0154	-1.0689	-0.8935	-0.8756	-0.8953	-0.9812	-0.5074	-0.4483	-0.4093	-0.2958	-0.6313	-0.5716	-0.5046	-0.2837	-1.6514	-2.4215	-1.5063	-0.4639	0.4086	-1.2962	-0.5422	-0.3549	-0.5355	-0.5339	-0.5372	-0.5151	-0.4546	-0.7582	-0.6507	-0.7085	-0.5084	-0.5868	-0.6950	-0.3324		-0.4857	-0.2075	-0.6780	-0.4125	-0.6078	-0.7017	-0.6851	-0.4911	-0.5946	-0.7606
PS 40:7	-0.7067	-0.4553	-0.5621	-0.5734	-0.5353	-0.7605	-0.5319	-0.8817	-0.8085		-0.7209	-0.7123	-0.7064	-0.5954	-0.6534	-0.4499	-0.7448	-0.7808	-0.5654	-0.5842	-0.5424	-0.5463	-0.8965	-1.3595	-0.4853	-0.6515	-0.4566	-0.7095	-0.5205	-1.2228	-0.3055	-0.6376	-0.5200	-0.6251	-0.4389	-0.7688	-0.6013	-0.5414	-0.6394	-0.7936	-0.5143	-0.4825	-1.2897	-0.6155	-0.6543	-0.6394		-0.4971	-0.5385	-0.6883	-0.6345	-0.6601	-0.5414	-0.8226	-0.5191	-0.3413	-0.4914
PS 40:9	-1.1499	-1.0739	-1.1576	-0.9031	-1.0777	-1.1470	-1.3579	-0.9978	-1.8650		-0.7000	-1.1375	-0.8003	-1.0640	-1.4150	-1.0222	-0.9590	-1.3670	-1.3882	-0.8961	-1.0139	-1.3120	-1.7250	-1.5502	-0.8545	-0.9164	-1.4028	-1.0057	-0.9321	-1.5747	-0.6852	-0.9768	-1.1084	-1.0250	-1.0506	-1.0034	-1.1134	-1.0316	-1.2024	-1.4058	-1.0624	-1.1267	-1.1593	-1.3208	-1.1037	-1.0647		-1.0335	-0.9149	-1.6716	-1.1008	-1.4305	-1.1212	-1.3140	-1.7106	-1.1044	-1.2078
PS 42:9	-0.7988	-0.7664	-0.8321	-0.5184	-0.5032	-0.6686	-0.9437	-0.8730	-0.8599		-0.8158	-0.7422	-0.6760	-0.5633	-0.5074	-0.5901	-0.6997	-0.9130	-0.6041	-0.4435	-0.5301	-0.5915	-0.7722	-0.7004	-0.5920	-0.4916	-0.8172	-0.6930	-0.6679	-1.0806	-0.5464	-0.5647	-0.9090	-0.5640	-0.5778	-0.7774	-0.5412	-0.6851	-0.6710	-0.7980	-0.6252	-0.8577	-0.6087	-0.6979	-1.1350	-0.5265		-0.6385	-0.3423	-0.7147	-0.6863	-0.7011	-0.6985	-0.7957	-0.9499	-0.5484	-0.8323
PS O-38:6/ PS P-38:5	-2.1980	-1.8162	-2.2748	-2.1106	-1.2357	-1.9046	-2.0787	-1.5196	-1.4745		-1.3837	-1.9557	-1.7167	-1.9694	-1.8158	-2.3162	-1.6488	-2.0021	-1.8089	-1.6200	-1.5679	-1.6156	-1.3793	-1.7782	-1.5116	-1.6991	-2.1190	-1.4173	-1.9732	-1.6740	-1.6495	-1.9933	-2.0440	-1.4484	-1.6864	-1.7818	-1.6587	-1.5878	-1.8053	-1.5829	-2.4768	-1.7384	-1.7700	-1.6100	-2.1093	-1.6987		-1.9993	-1.6163	-1.4634	-1.3946	-1.5972	-2.1576	-1.7313	-1.6435	-1.9051	-2.0042
Purine	2.1195	1.9573	2.0382	2.1196	2.2791	1.9238	1.5715	1.8453	2.1663	2.0542	2.1279	1.8835	1.8714	1.9490	2.1430	1.7462	2.1311	1.8557	1.9290	1.8845	1.8884	1.7905	2.0403	2.1975	2.0445	1.7768	2.0119	1.9113	1.8267	1.8434	1.7710	2.1350	1.8874	1.7627	2.0011	1.6349	2.0856	1.9056	1.9321	1.8538	2.0160	1.7798	2.1517	2.0954	2.0714	1.9140	1.8685	1.9337	2.0330	2.0113	1.7558	2.0696	2.3016	1.9889	1.9305	1.8608	1.8677
Putrescine	1.0718	2.0808	1.0570	0.7808	1.9767	1.1399	1.2014	1.2500	0.9440	1.9351	1.3949	1.1028	1.2838	1.0773	0.9471	1.1532	2.0552	2.2403	1.4101	1.2582	0.9110	1.3257	1.9081	1.7144	1.0359	1.4524	0.8004	1.2475	1.2814	1.4245	1.5771	1.0640	1.3724	1.0458	1.0549	0.9211	1.6574	1.2770	1.2572	1.1708	1.2142	1.4368	0.8615	0.9005	1.3903	1.1941	1.8331	1.2657	1.5086	0.9382	0.8366	1.4773	1.4461	1.1380	1.6145	1.3323	1.4585
Pyridoxamine	1.1302	1.1806	1.1215	1.2091	1.0634	1.2858	1.2330	1.0277	1.1626	1.2473	1.2457	1.3279	1.1825	1.2250	1.0501	1.2331	1.2050	1.1619	1.1476	1.2405	1.1408	1.3024	1.3087	1.4390	1.2087	1.1685	1.1648	1.1599	1.2620	1.2570	1.3014	1.1294	1.2670	1.1397	1.2034	1.1320	1.2462	1.3126	1.3939	1.3081	1.3414	1.1526	1.0694	1.2386	1.0780	1.3535	1.2578	1.2599	1.2943	1.1782	1.2767	1.3020	1.2853	1.1963	1.3167	1.2029	1.2526
Pyroglutamic acid	2.6208	2.3040	2.3066	2.5509	2.5680	2.1191	2.3073	2.0393	2.9797	2.4202	2.1494	2.2311	2.8066	2.0240	2.3163	2.1823	2.1941	2.2139	2.0390	2.1554	2.5547	2.4553	2.0969	2.2275	2.0637	2.1411	2.2672	2.2919	1.8852	2.2207	2.0757	2.0582	2.2666	2.6638	2.3052	2.4168	2.2121	2.2918	2.2604	2.2312	2.1966	2.0155	2.4699	2.3101	2.2377	2.2208	2.5179	2.3642	2.2342	2.3341	2.3594	2.2466	2.1789	2.0154	2.0488	2.2556	2.1654
SHexCer 34:1;2O	-0.6802	-0.7981	-0.7692	-0.6854	-0.7122	-0.6661	-0.7022	-0.8723	-0.6764		-0.9849	-0.3664	-0.6386	-0.5525	-0.6126	-0.9212	-0.7309	-0.8445	-0.8754	-0.9234	-0.6384	-0.7148	-0.8192	-0.8132	-0.5332	-0.7825	-0.8850	-0.9765	-1.0937	-0.6586	-0.7394	-0.6975	-0.6349	-0.6671	-0.8687	-0.7233	-0.6532	-0.9375	-0.6211	-0.9128	-0.8377	-0.8326	-0.9022	-1.0058	-1.2009	-0.5152		-0.9184	-0.6656	-0.7246	-0.5813	-0.6420	-1.0085	-0.7157	-0.6422	-0.7249	-0.6813
SM 20:2;3O	-2.6596	-1.7827	-2.4757	-1.3987	-2.0960	-2.1919	-3.6486	-2.5978	-1.9923		-2.0984	-2.8892	-2.2108	-2.3755	-3.2714	-2.9000	-3.0664	-0.9074	-1.9084	-1.5050	-1.2904	-1.0629	-1.4626	-1.1991	-1.4111	-2.8785	-1.1375	-2.2503	-2.2942	-1.4368	-1.9964	-1.6476	-1.2017	-0.5796	-2.3926	-1.8634	-2.5026	-0.3917	-1.5630	-1.4516	-0.3941	-2.7009	-2.2221	-2.2841	-1.1448	-1.8886		-1.8212	-0.0675	-1.3266	-0.8463	-1.1636	-1.0777	-2.6789	-2.2430	-3.6456	-2.2348
SM 32:0;2O	-0.9431	-1.2361	-1.2336	-1.1024	-1.1425	-1.3928	-1.0568	-1.2639	-1.2409		-0.9939	-1.1648	-1.0934	-0.9820	-1.2189	-1.2575	-1.3617	-1.1490	-1.2942	-1.1897	-1.1023	-1.0943	-1.1563	-1.0328	-1.1657	-1.3687	-1.5488	-1.4604	-1.1248	-1.0691	-1.0988	-1.1322	-1.2362	-1.0716	-1.1312	-1.1861	-1.2891	-1.1342	-1.1497	-1.1575	-1.1781	-1.1641	-1.0825	-1.2657	-1.1807	-1.1710		-1.1443	-0.9175	-1.1892	-0.9647	-1.0607	-1.1604	-1.2236	-1.1082	-1.2370	-1.1294
SM 32:1;2O	0.3697	0.1497	0.1893	0.2209	0.1308	0.1155	0.4735	0.1405	0.2307		0.2397	0.3038	0.2432	0.2624	0.2019	0.1693	0.0933	0.2155	0.1251	0.2648	0.2167	0.2642	0.1572	0.1067	0.0986	0.1337	0.0966	-0.0567	0.1614	0.1219	0.2765	0.1344	0.1391	0.1731	0.1638	0.1541	0.1102	0.2385	0.2075	0.1312	0.1908	0.0768	0.1100	0.0672	0.2581	0.1370		0.2625	0.4207	0.0985	0.2039	0.2641	0.2593	0.1761	0.2281	0.1636	0.1368
SM 34:0;2O	-0.1506	-0.2581	-0.4443	-0.2913	-0.2828	-0.6488	-0.3957	-0.4365	-0.5237		-0.2399	-0.3939	-0.3023	-0.1050	-0.3507	-0.3680	-0.4255	-0.3816	-0.3350	-0.4587	-0.4213	-0.2055	-0.1768	-0.2640	-0.8932	-0.3459	-0.3311	-0.5800	-0.1346	-0.1838	-0.3510	-0.3009	-0.4275	-0.4750	-0.4379	-0.3346	-0.2656	-0.6658	-0.2574	-0.3797	-0.2045	-0.4309	-0.3011	-0.3224	-0.2834	-0.5572		-0.3185	-0.1304	-0.5569	-0.2458	-0.2907	-0.1155	-0.2726	-0.2692	-0.3381	-0.4649
SM 34:1;2O	1.6897	1.7331	1.5597	1.2377	1.2311	0.9861	1.4041	1.4727	1.1178		1.5492	1.6671	1.4429	1.1050	1.0640	1.1858	1.1694	0.8760	1.5464	1.3475	1.4126	-0.7229	-0.7759	1.8079	1.5549	-0.5443	1.3139	1.0143	1.3894	1.1696	1.4841	0.8551	1.2313	1.0644	1.2902	1.4352	1.3193	-0.8644	1.5743	-0.1715	1.4089	1.3914	1.4356	1.1890	0.7755	1.1748		1.5917	1.4236	0.9524	-0.1551	1.3105	1.4891	1.2424	-0.9645	1.4588	1.1313
SM 34:1;3O	-0.5088	-0.8169	-0.8655	-0.6113	-0.5423	-1.0354	-0.7418	-0.7285	-0.6389		-0.5392	-0.5310	-0.6619	-0.6238	-0.7746	-0.5158	-0.5751	-0.6515	-0.7784	-0.7736	-0.6772	-0.4555	-0.3549	-0.3659	-0.5939	-0.5321	-0.6455	-0.7168	-0.7166	-0.2381	-0.6215	-0.6105	-0.7284	-0.6091	-0.6900	-0.5806	-0.4373	-0.7931	-0.7021	-0.7447	-0.5430	-0.7137	-0.8204	-0.7133	-0.7064	-0.7335		-0.6673	-0.2475	-0.7465	-0.7930	-0.5352	-0.5656	-0.3221	-0.4459	-0.6134	-0.7399
SM 34:2;2O	0.1963	0.2724	0.0665	0.2690	0.1688	0.2548	0.3519	0.3200	0.3436		0.3536	0.4052	0.1545	0.4280	0.1377	0.3551	0.0424	0.1801	0.1454	0.3405	0.3129	0.3961	0.3448	0.0762	0.2254	0.0501	0.1867	-0.1383	0.2215	0.2140	0.4790	0.1272	0.1107	0.2897	0.4323	0.1448	0.1577	0.2432	0.3059	0.2157	0.2881	-0.0781	0.3257	0.2710	0.1384	0.2094		0.2710	0.5460	0.1491	0.3058	0.2897	0.1523	0.1075	0.2582	0.3327	0.2239
SM 36:1;2O	0.3273	0.1050	-0.1355	0.2166	0.0927	-0.1468	0.1216	0.1400	0.0094		0.0550	0.0309	0.1758	0.1360	0.1815	-0.0635	0.1777	-0.0984	0.1495	-0.0459	0.1354	0.1562	0.0310	0.1530	0.1125	0.1256	0.1716	-0.0630	0.2782	0.1381	0.0412	0.1341	0.2189	0.2039	0.1098	0.1341	0.2502	0.1184	0.1021	-0.0329	0.1437	0.0337	0.1665	-0.0035	0.0567	-0.0452		0.0780	0.1276	0.0947	0.2058	0.1154	0.2005	0.2810	0.0886	0.1450	0.0513
SM 36:1;3O	-0.6275	-0.5716	-0.5943	-0.4729	-0.2252	-1.3494	-0.8180	-0.6218	-0.9298		-1.0425	-0.9260	-0.7903	-0.4028	-0.6732	-0.9534	-0.6206	-0.4782	-0.5848	-0.2368	-0.7415	-0.8744	-0.5720	-0.0382	-0.6619	-0.7057	-0.4825	-0.9578	-0.6157	-0.2750	-0.5238	-0.4442	-0.6645	-0.0330	-0.7092	-0.8814	-0.8096	-0.4375	-0.4512	-0.3710	-0.5730	-0.2736	-0.6275	-0.5133	-0.4171	-0.5266		-0.4742	-0.3146	-0.4627	-0.5932	-0.4198	-0.4304	-1.0821	-0.4068	-0.3964	-0.6288
SM 36:2;2O	0.1007	0.0119	-0.2975	0.1251	-0.0924	-0.1129	0.0862	0.1373	0.0825		0.1790	0.0555	-0.0072	0.1269	-0.0719	0.0026	-0.1105	-0.0660	-0.0141	0.0057	0.1545	0.0602	-0.0325	-0.1874	-0.0951	-0.0496	-0.0715	-0.3661	0.0624	-0.1122	0.1541	-0.0705	-0.0707	0.0295	0.0564	-0.0742	-0.0504	-0.0137	0.0004	-0.0775	-0.0023	-0.2533	0.0259	-0.0619	-0.2706	-0.0066		0.0286	0.1753	-0.0306	0.1130	-0.0192	-0.1032	-0.0646	-0.0503	0.0021	-0.0919
SM 36:2;3O	-1.5467	-1.6647	-2.5320	-1.5230	-1.6525	-2.0075	-1.9470	-1.6502	-1.4075		-1.3103	-1.4641	-1.7239	-1.4381	-1.9689	-1.7719	-1.6319	-1.7186	-1.6852	-1.5407	-1.6193	-1.4135	-1.4157	-1.6893	-1.6531	-1.7839	-1.4357	-2.0165	-1.5472	-1.5940	-1.3187	-1.5807	-1.7099	-1.3931	-1.4027	-2.2733	-1.5609	-1.9330	-1.4938	-1.5156	-1.3998	-1.8070	-1.8731	-1.6650	-2.0780	-1.7434		-1.5113	-1.1238	-1.8338	-1.4115	-1.4732	-1.9595	-1.7370	-1.3401	-1.4397	-1.8329
SM 36:5;2O	-1.2010	-0.9204	-1.3439	-0.9285	-1.0041	-1.0772	-1.4104	-1.0257	-1.1529		-1.1650	-1.1017	-1.1397	-0.4873	-1.7039	-0.9216	-1.1416	-0.8978	-1.0824	-0.7618	-0.8712	-0.8978	-0.8990	-0.9808	-1.0995	-1.5710	-0.7656	-1.5575	-1.1416	-0.8367	-0.8019	-1.1975	-0.9697	-0.5623	-2.6949	-1.2263	-0.9764	-0.8335	-0.9832	-1.5269	-0.9091	-1.2483	-1.1261	-0.7657	-0.9912	-1.0762		-1.0062	-0.4367	-1.2588	-1.1812	-0.8078	-1.0384	-1.1803	-0.8130	-0.7534	-0.7977
SM 38:1;2O	-0.3056	-0.3055	-0.6762	-0.2826	-0.4321	-0.5202	-0.7055	-0.5493	-0.8560		-0.4646	-0.7088	-0.4028	-0.5276	-0.3647	-0.7385	-0.2436	-0.7827	-0.4192	-0.6581	-0.5893	-0.3275	-0.5185	-0.5091	-0.5507	-0.3718	-0.4212	-0.4519	-0.2599	-0.4237	-0.6426	-0.4624	-0.3711	-0.4167	-0.4143	-0.3286	-0.2387	-0.5806	-0.3101	-0.6007	-0.3562	-0.6008	-0.5790	-0.3673	-0.3342	-0.8225		-0.3803	-0.1814	-0.5183	-0.5016	-0.3393	-0.4224	-0.2596	-0.4946	-0.2933	-0.6567
SM 38:2;2O	-0.3050	-0.2475	-0.8264	-0.2136	-0.4116	-0.6201	-0.4695	-0.3015	-0.2501		-0.2236	-0.3808	-0.2980	-0.3396	-0.3776	-0.3553	-0.3567	-0.5396	-0.3343	-0.4095	-0.2000	-0.3295	-0.3551	-0.5875	-0.4284	-0.3686	-0.2936	-0.7472	-0.1389	-0.5136	-0.2153	-0.3699	-0.5193	-0.4370	-0.2818	-0.4294	-0.3044	-0.4893	-0.3591	-0.3965	-0.2725	-0.7013	-0.4694	-0.2861	-0.6633	-0.4718		-0.3692	-0.0446	-0.4075	-0.2502	-0.4745	-0.4561	-0.3933	-0.3553	-0.2481	-0.5916
SM 38:2;3O	-2.6492	-2.4554	-2.7602	-2.4134	-2.3639	-2.5958	-3.0722	-1.9912	-1.8619		-1.3281	-2.4475	-3.2220	-1.5856	-2.9404	-1.6312	-2.9793	-3.5571	-2.6411	-2.1971	-2.5296	-2.5035	-2.2696	-2.3461	-2.1737	-3.5373	-2.4088	-3.7320	-2.3239	-2.4532	-2.1174	-2.1648	-2.7088	-1.8352	-2.0901	-3.6990	-3.2663	-2.4014	-2.1226	-2.1480	-2.8830	-3.5293	-3.3280	-3.5219	-3.2904	-2.7655		-3.3527	-1.0595	-3.1948	-1.4931	-3.0769	-2.7978	-3.2460	-1.8725	-1.8665	-2.4852
SM 40:2;2O	-0.0400	-0.1128	-0.3273	-0.0476	-0.1505	-0.3143	-0.0132	-0.0940	-0.1554		-0.2183	-0.0699	-0.0938	-0.0381	0.0270	-0.1657	-0.1674	-0.2787	-0.1123	-0.1221	0.0121	-0.0136	-0.1345	-0.2866	-0.1153	-0.2315	-0.0844	-0.4531	-0.0181	-0.1408	-0.0601	-0.0623	-0.1992	-0.1200	-0.1390	-0.0725	-0.0054	-0.1088	-0.1072	-0.2543	-0.0293	-0.2415	-0.1281	-0.1731	-0.2332	-0.2286		0.0073	0.2287	-0.1238	-0.1408	-0.1740	-0.0515	-0.0264	-0.1003	0.0536	-0.2519
SM 40:3;2O	-0.8487	-1.2813	-0.9390	-0.9245	-0.9777	-1.0909	-0.7594	-0.7241	-1.0903		-1.0589	-0.9812	-1.0896	-0.8039	-0.8214	-1.1185	-1.1238	-1.1428	-0.9919	-1.1831	-0.7378	-1.0271	-0.9584	-1.1110	-1.0303	-0.9127	-1.1098	-1.5941	-1.1006	-1.1019	-0.8077	-0.9402	-1.2088	-0.9519	-0.9516	-0.7918	-0.9481	-0.8209	-1.0378	-1.1857	-1.0339	-0.8635	-0.9100	-1.1923	-0.9565	-1.0051		-1.0281	-1.0178	-0.9443	-0.8156	-1.0800	-0.8820	-1.0417	-1.0485	-0.8884	-1.3117
SM 40:4;2O	-1.3086	-1.2675	-1.6033	-1.5810	-1.3367	-1.0785	-1.6206	-1.3475	-1.3763		-1.2897	-1.7263	-1.2737	-1.4993	-1.2788	-1.5448	-1.2101	-1.4802	-1.3442	-1.6104	-1.5352	-1.3082	-1.4930	-1.5659	-1.4307	-1.3895	-1.3978	-1.2535	-1.2447	-1.2281	-1.7072	-1.6703	-1.4729	-1.4723	-1.4184	-1.2734	-1.1459	-1.4669	-1.2919	-1.4253	-1.3795	-1.5296	-1.7137	-1.3368	-1.2661	-1.9791		-1.4243	-1.2667	-1.3415	-1.5218	-1.2503	-1.8021	-1.1567	-1.2277	-1.2124	-1.6021
SM 40:5;2O	-1.2113	-1.1385	-1.8221	-1.2930	-1.4481	-1.6336	-1.5108	-1.1565	-1.2095		-1.1072	-1.3230	-1.1976	-1.2832	-1.4148	-1.1001	-1.3106	-1.6007	-1.3438	-2.2290	-1.2003	-1.6922	-1.7315	-1.6503	-1.2551	-1.4444	-1.3532	-1.6665	-1.1486	-1.7378	-1.1263	-1.7730	-1.5214	-1.5189	-1.3694	-1.2565	-1.3618	-1.5935	-1.8678	-1.6103	-1.8506	-1.9423	-1.9886	-1.2677	-1.8415	-1.3508		-1.9879	-1.6869	-1.4480	-1.1670	-1.8162	-2.0324	-1.3336	-1.1417	-1.0438	-1.8376
SM 40:9;3O	-2.0811	-2.6958	-2.8552	-1.9065	-2.1593	-2.4694	-1.5528	-1.4374	-1.3191		-1.1187	-1.4266	-1.3746	-2.0367	-1.8450	-1.5980	-1.9412	-2.2018	-2.9132	-1.9543	-1.8081	-2.7892	-2.7403	-2.7649	-1.1883	-1.5717	-2.0299	-2.2275	-1.5777	-2.3596	-2.3004	-2.1758	-3.3201	-2.6382	-2.4594	-1.4124	-2.1813	-2.3206	-3.0046	-1.1430	-2.3321	-2.2744	-1.9598	-2.5426	-2.3172	-1.7340		-2.1154	-2.6752	-2.3681	-2.2858	-4.0822	-2.2949	-2.5297	-3.3440	-1.8274	-1.8498
SM 42:2;2O	0.5489	0.4206	0.3503	0.5081	0.5001	0.3168	0.4888	0.5072	0.2805		0.2049	0.6229	0.4321	0.6198	0.7118	0.3627	0.4224	0.3334	0.6092	0.4995	0.5629	0.7273	0.5116	0.5046	0.5306	0.4989	0.4655	0.3127	0.6211	0.5716	0.5525	0.6189	0.4701	0.6057	0.5056	0.4645	0.6739	0.5633	0.4773	0.4120	0.5919	0.5502	0.6152	0.3728	0.4834	0.4469		0.6083	0.7339	0.5699	0.6207	0.4472	0.6492	0.5782	0.5337	0.6291	0.4765
SM 42:3;2O	0.2116	0.0135	0.0788	0.1874	0.2194	-0.0500	0.2322	0.3135	0.0114		-0.1461	0.2687	0.0943	0.3323	0.3218	0.0219	0.0609	0.0078	0.2907	0.0945	0.3075	0.2279	0.1894	0.1144	0.1248	0.2158	0.0635	-0.1123	0.1119	0.1410	0.3170	0.2584	0.1338	0.2428	0.1615	0.2179	0.3020	0.2704	0.1340	0.0691	0.2018	0.2486	0.3771	-0.0612	0.1065	0.1456		0.1698	0.2537	0.2216	0.3787	0.0400	0.2498	0.1068	0.1074	0.2704	0.0961
SM 42:5;2O	-1.0898	-1.8484	-1.8815	-1.5680	-1.6612	-1.7026	-1.5545	-2.0425	-1.6735		-1.6909	-1.4253	-1.4141	-2.4246	-1.8916	-2.1107	-1.4391	-1.8507	-1.9989	-1.5683	-1.8128	-1.6324	-1.5284	-1.9354	-1.5179	-1.8113	-1.1228	-2.2977	-1.6512	-1.8070	-1.7513	-1.6638	-1.2703	-1.3235	-1.7514	-1.7035	-1.8561	-2.0051	-2.2363	-1.7842	-1.1923	-1.4170	-1.5936	-1.6417	-1.5726	-1.1771		-1.5905	-1.0461	-2.0239	-1.6974	-1.0734	-1.2858	-1.3230	-3.6385	-1.9780	-1.9189
SM 42:6;3O	-0.2545	0.0069	-0.2688	-0.3601	-0.3031	-0.2317	0.2406	0.0747	-0.0000		0.0737	-0.1957	-0.2043	-0.1319	-0.0173	-0.2062	-0.0254	-0.2762	-0.2717	0.0878	-0.1815	-0.1758	0.0406	-0.0097	-0.1286	-0.3567	-0.2032	-0.4441	0.0661	0.0853	-0.1237	-0.0263	-0.0137	-0.0244	-0.1934	-0.3980	-0.1639	0.0224	-0.2331	-0.0740	-0.3000	-0.1251	-0.2080	-0.0674	-0.0897	-0.1492		-0.1540	0.0594	-0.0362	-0.1721	-0.1496	-0.1596	-0.3178	-0.0940	-0.0403	-0.3562
SM 44:3;2O	-3.4803	-2.7781	-2.9658	-2.3087	-2.3357	-2.7001	-3.5056	-2.2721	-2.8571		-3.2406	-3.6683	-3.1245	-2.9776	-2.0673	-3.2618	-2.6247	-3.3187	-2.5910	-3.0403	-2.3542	-2.6799	-2.4745	-2.8373	-2.6999	-2.3148	-2.4842	-3.8123	-2.8273	-2.6353	-2.8411	-2.2315	-3.0163	-2.2795	-2.2904	-2.6751	-2.2112	-2.6185	-3.0293	-2.8872	-2.3735	-2.1792	-2.2172	-3.5194	-2.6111	-2.9997		-2.0764	-2.0126	-3.1877	-3.5433	-3.2455	-2.0109	-2.3852	-2.8354	-2.2542	-2.9594
SM 44:5;2O	-0.2213	-0.3937	-0.4080	-0.3036	-0.2356	-0.4404	-0.2669	-0.2661	-0.4579		-0.5088	-0.1833	-0.2945	-0.1972	-0.0696	-0.2345	-0.4083	-0.4691	-0.2227	-0.3411	-0.2524	-0.1368	-0.3520	-0.4167	-0.1783	-0.2504	-0.3723	-0.4356	-0.2685	-0.3056	-0.1847	-0.2496	-0.4209	-0.2196	-0.3199	-0.3059	-0.1903	-0.2836	-0.2944	-0.3759	-0.3053	-0.1921	-0.3079	-0.5285	-0.2960	-0.3126		-0.1665	-0.2175	-0.2838	-0.1809	-0.3889	-0.3451	-0.1978	-0.2670	-0.0630	-0.3446
SM 44:6;2O	-0.5856	-0.8538	-0.8093	-0.7155	-0.6510	-0.8332	-0.6647	-0.5068	-0.8530		-0.9020	-0.5443	-0.7304	-0.6102	-0.5657	-0.5767	-0.8306	-0.8168	-0.6237	-0.9363	-0.6387	-0.6664	-0.8120	-0.8801	-0.6166	-0.6322	-2.0515	-0.9304	-0.8531	-0.8876	-0.5102	-0.8052	-1.0955	-0.7064	-0.8174	-0.6388	-0.6559	-0.5721	-0.7448	-0.7484	-1.3420	-0.5797	-0.5844	-0.9895	-0.7884	-0.8310		-1.0807	-0.7821	-0.6373	-0.4781	-0.8552	-0.8378	-0.7521	-0.7909	-0.4775	-0.8269
SM 46:5;2O	-0.1284	-0.2977	-0.3506	-0.2817	-0.1902	-0.3329	-0.0915	-0.3159	-0.3594		-0.4776	0.0260	-0.2513	0.0189	0.0237	-0.0918	-0.5178	-0.3181	-0.0843	-0.1971	0.1153	0.0483	-0.1558	-0.2350	-0.1160	-0.2158	-1.6264	-0.5752	-0.2643	-0.2662	-0.0296	0.0256	-0.6448	-0.0484	-0.1599	-0.2205	-0.0838	-0.1508	-0.0672	-0.3454	-0.1555	-0.2356	-0.1888	-0.7127	-0.4471	-0.4073		-0.1256	0.0078	-0.1634	-0.0184	-0.1742	-0.1628	-0.1815	-0.2045	0.0109	-0.1967
SM 46:6;2O	-0.6347	-1.1053	-1.0449	-0.7587	-2.1113	-0.7172	-0.6435	-1.0357	-0.8157		-0.9763	-1.0288	-0.7977	-0.8562	-0.5193	-0.6558	-1.1148	-0.9193	-0.7877	-0.6506	-0.6626	-0.4232	-0.8805	-1.0066	-0.6717	-0.6255	-0.8400	-0.9721	-0.9615	-0.8034	-0.3331	-0.6538	-1.0114	-0.8102	-0.7349	-0.7854	-0.5900	-0.4932	-0.9813	-1.0673	-0.7164	-0.8959	-0.7110	-1.2278	-1.1632	-1.0035		-1.0669	-0.9350	-0.7156	-0.7221	-0.8540	-0.8052	-0.5612	-0.7856	-0.6277	-1.2338
SM 46:7;2O	-1.3508	-1.6169	-1.4450	-1.2087	-1.1645	-1.4748	-1.0635	-1.1258	-1.3356		-1.1583	-1.2265	-1.0957	-0.8603	-1.0410	-1.4524	-1.5441	-1.7599	-1.0887	-1.3510	-1.1433	-1.3605	-1.1950	-1.6559	-1.5463	-1.3177	-1.5074	-1.7180	-1.2648	-1.7675	-1.0286	-0.9415	-1.4827	-1.0965	-1.2830	-1.2242	-1.5260	-1.3082	-1.0578	-1.1942	-1.3788	-1.0831	-1.6123	-1.5460	-1.6017	-1.3117		-1.0101	-1.3235	-1.1628	-1.0659	-1.4018	-1.5006	-1.3598	-1.1692	-1.0804	-1.3227
SM 48:5;2O	-0.5710	-0.7407	-0.6711	-0.5104	-0.7490	-0.8652	-0.4597	-0.6224	-1.1305		-0.9612	-0.3361	-0.6615	-0.1745	-0.2844	-0.6266	-0.7182	-0.8306	-0.4604	-0.6301	-0.2099	-0.3706	-0.3827	-0.6325	-0.5926	-0.5944	-0.6341	-1.1434	-0.4054	-0.7531	-0.2866	-0.0235	-0.5730	-0.2542	-0.4432	-0.6197	-0.3163	-0.4584	-0.3908	-0.7241	-0.5793	-0.5089	-0.5801	-0.7950	-0.9907	-0.7057		-0.4683	-0.2824	-0.3622	-0.2451	-0.5126	-0.3902	-0.6241	-0.4512	-0.3830	-0.5368
Spermidine	-0.7173	0.0183	-0.1136	-0.1362	0.3638	0.9254	0.6008	0.5777	0.2293	1.2784	1.1844	0.7457	-0.1297	0.4672	-1.4576	-1.3079	-0.3986	-0.8760	0.1328	0.0471	-0.6007	-0.1682	-0.0768	0.1496	-0.1084	1.1955	-0.1194	0.3938	-0.0439	-0.6365	-0.2249	0.3509	-1.2586	-0.3584	-0.2918	-0.1582	-0.2995	0.7274	-0.1307	-0.6077	1.0272	0.8897	-1.1152	-1.2251	-0.3775	1.0945	0.2393	-0.0369	1.1306	-0.9674	1.4482	1.1571	1.1605	-1.6489	0.6577	0.5031	0.8862
Spermine	2.6649	2.8562	2.8687	2.6439	2.8180	3.2674	3.0021	2.7226	2.7566	3.1169	2.8712	2.9608	2.7708	2.8117	2.6796	2.5353	2.6087	2.9109	2.9896	3.0683	2.8509	2.9749	2.9486	3.1313	2.7837	3.0018	2.6440	2.8107	2.8265	2.7148	2.7987	3.0043	2.8850	2.6971	2.6477	2.6554	2.6980	3.1574	3.0608	2.8464	2.9825	3.1188	2.5880	2.8443	2.6769	2.8607	2.9122	3.0569	3.1916	2.9976	3.0706	3.0256	3.1806	2.8439	3.1286	2.8573	3.1747
Succinic acid	2.3208	2.2938	2.3713	2.2991	2.5228	2.2451	2.2610	2.0750	2.3392	2.3098	2.3072	2.3219	2.2749	2.1720	2.1842	2.2042	2.0459	2.3049	2.2233	2.1368	2.3371	2.3396	2.3340	2.5127	2.2880	2.1916	2.0090	2.0595	2.0455	2.4206	2.2785	2.0062	2.3628	2.1551	2.0592	2.2848	2.1315	2.4869	2.1408	2.4445	2.7921	2.2543	2.1842	2.3993	2.2303	2.1980	2.3444	2.1900	2.6589	2.3980	2.3817	2.2388	2.4618	2.2599	2.2009	2.1330	2.4026
Sucrose	0.5912	0.6749	0.3929	0.3984	0.5764	0.8298	0.6838	1.5444	1.1990	0.8636	0.9777	0.7701	1.2466	1.0382	0.5280	0.7292	0.2485	1.1446	-0.1567	0.4111	0.5470	1.2595	1.0504	0.9851	0.8280	0.6120	1.4645	0.6035	0.6890	0.6185	1.2362	0.8832	0.0598	0.4040	0.8908	0.6094	0.4068	0.8357	0.4699	0.6425	0.7726	0.1603	0.9416	0.7157	0.6677	0.5058	0.3695	0.5195	0.5496	0.8483	0.5337	0.7489	0.8616	0.5598	0.8389	0.4148	0.3894
Targinine	-0.4880	1.3157	1.2114	0.9036	0.8664	1.5340	1.4653	1.4309	1.2598	1.5942	0.8070	1.2259	1.2615	1.2593	0.9983	1.6689	0.7734	1.4221	1.5531	1.5959	1.5977	1.7158	1.8939	1.8439	1.4896	1.8341	1.2442	1.4393	1.5915	1.3641	1.7776	0.9216	1.3673	1.5040	1.0889	0.9294	1.1573	1.4134	1.4850	1.5030	1.3067	1.8298	0.8209	0.8263	1.1688	1.0428	1.0020	1.8724	1.2791	1.4437	1.5533	1.1317	1.0824	1.3553	1.2789	1.5684	1.2477
Taurine	2.1752	2.3094	2.2251	2.3508	1.9838	2.0425	2.1434	2.0542	1.8792	2.1006	1.8405	2.0337	2.1790	2.1366	2.1273	2.2663	2.1878	2.2421	2.0089	2.1812	2.0392	2.1424	2.1897	2.3552	2.0253	1.9465	2.1069	2.2119	2.3637	2.0978	2.2759	1.9445	2.5578	2.3335	2.2407	1.9407	2.1361	2.1463	2.1365	2.2767	2.1257	2.3078	2.0323	2.2461	2.2761	2.4439	2.1970	2.0408	1.8766	2.1205	1.9910	2.0358	2.0700	2.1864	2.1576	2.1974	2.2475
Trehalose	0.8286	0.6484	0.5224	0.6232	0.9723	1.1652	0.5936	1.7476	-0.3560	1.0446	1.2829	0.6242	1.7214	0.5681	0.5142	0.7810	-0.8260	1.7459	0.0891	0.3776	0.9287	1.6363	1.2200	0.8104	0.9899	0.8084	1.4169	1.6675	2.1560	0.7459	0.9452	0.6148	1.0481	0.7521	1.1191	0.9651	0.2801	1.1541	0.4633	0.7169	0.8289	0.3049	1.0133	1.1433	1.3596	1.3323	0.6573	0.8632	-0.4591	1.2199	0.8477	0.5852	1.4464	1.0764	1.1390	0.2833	0.7849
Trimethylamine N-oxide	1.8990	2.1406	1.6046	1.6719	2.1332	1.7241	1.6069	1.8747	1.8193	1.6699	2.2749	1.2138	1.2131	1.5115	1.6963	1.6476	1.4983	1.3215	1.5925	1.2268	1.4839	1.6323	1.6285	2.0674	1.7176	1.9520	1.6489	1.8156	1.9697	1.5002	1.7011	1.5403	2.1957	1.8573	2.3242	1.5402	1.6546	2.0574	1.6676	1.5663	2.2257	1.7953	1.6261	1.4719	1.9432	1.5133	1.5748	1.9560	2.0122	2.0375	1.6206	1.5583	1.4384	2.1130	1.8804	2.0761	1.7895
Tyramine	0.3708	0.5596	0.9599	0.4841	0.9160	0.7841	1.9438	0.0568	1.1025	0.4781	0.1659	0.3595	0.6265	1.2292	0.3546	0.9715	0.5385	0.1134	0.4684	0.1559	0.4320	-0.2674	0.1649	0.3132	0.6097	0.8500	-0.2780	0.0760	0.1568	-1.6830	0.5956	0.9308	0.7934	0.4297	0.0151	1.2133	0.2238	0.4838	0.7982	0.8112	0.6310	0.3369	-0.5578	0.4184	0.3644	0.5945	0.4950	-0.1858	0.1605	0.3351	-0.2090	0.5373	-0.2891	0.5755	0.5067	0.8147	0.4316
Uracil	1.6992	1.7428	1.7787	1.7992	2.0882	1.7578	1.8553	2.0566	1.8305	1.7187	1.7711	1.8311	1.8680	2.0687	2.2429	1.6444	1.9942	1.5222	2.0019	2.0560	1.9069	1.5715	1.7495	1.8694	1.7195	1.6759	1.9303	2.0136	2.1257	0.8783	1.9705	2.4587	1.7587	1.6260	1.9495	1.6870	1.9563	1.7808	1.8928	1.7148	1.6505	1.9560	1.6172	2.0983	2.1207	1.9953	1.7051	1.9094	1.6122	1.8326	1.7934	1.7696	1.9844	2.2101	1.6670	1.8000	1.9869
Uridine	1.5042	1.6194	1.4365	0.8802	1.1249	0.8187	1.9194	1.5252	1.4011	0.9215	0.8726	1.3692	1.2022	1.5041	1.7164	0.9431	1.6902	1.1626	1.8657	2.0008	1.7986	1.6493	1.4609	1.7182	1.5052	1.4950	2.0409	1.5842	2.4592	2.4501	1.4994	1.3158	1.3453	1.8612	1.7469	1.3193	1.9056	1.9941	2.3274	1.7082	1.4090	1.9489	2.1534	1.9317	1.7161	1.6311	1.4041	2.1249	1.9314	1.6995	1.8922	1.9209	2.1654	2.0318	1.5452	2.0319	1.7640
Urocanic acid	-0.7716	-0.7513	-2.3827	-1.0657	-1.0198	-2.1852	-2.3872	-1.4991	-1.1061	-1.7304	-1.7953	-2.4211	-1.6794	-1.2123	-0.6302	-1.8354	-0.4363	-1.7143	-1.4494	-1.0096	-1.4131	-1.1609	-2.0755	-2.2670	-2.2355	-1.5734	-1.7209	-1.4522	-1.5731	-2.2385	-1.6189	-0.9154	-1.1782	-1.3461	-0.8014	-2.0446	-0.8678	-2.3591	-1.5010	-1.5851	-1.6247	-1.0815	-1.9262	-1.8737	-0.9418	-1.4517	-2.1807	-1.7615	-1.1117	-2.2129	-2.1121	-1.3577	-0.9282	-1.0298	-1.3424	-1.0136	-1.2831
Xanthine	2.4528	2.4317	2.4825	2.3462	2.3954	2.2915	2.2472	2.4951	2.2436	2.2697	2.3007	2.3625	2.2251	2.6265	2.4844	2.3361	2.5955	2.2653	2.4276	2.6394	2.3065	2.3592	2.4513	2.6704	2.1765	2.4296	2.3761	2.4347	2.3633	2.7043	2.4472	2.4655	2.4047	2.5178	2.3759	2.3830	2.3981	2.3678	2.4991	2.4795	2.1626	2.7658	2.3737	2.5007	2.4460	2.3711	2.2517	2.6298	2.5023	2.5802	2.4982	2.5038	2.6137	2.4579	2.5576	2.3334	2.3329
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	pubchem_id	inchi_key	kegg_id	other_id	other_id_type	ri	ri_type	moverz_quant	
1-Aminocyclopropanecarboxylic acid									
1-Methylnicotinamide									
2-Aminoadipic acid									
2-Furoylglycine									
3-Hydroxyanthranilic acid									
3-Methylhistidine									
4-Acetamidobutanoic acid									
4-Guanidinobutanoic acid									
Acetylcholine									
Adenine									
Adenosine									
Alanylisoleucine									
Alanylvaline									
Ascorbic acid									
beta-D-Allose									
Betaine aldehyde									
Cadaverine									
CAR 12:0									
CAR 14:0									
CAR 14:1									
CAR 16:0									
CAR 16:1									
CAR 18:0									
CAR 18:1									
CAR 18:2									
CAR 20:1									
CAR 20:3									
CAR 20:4									
CAR 22:6									
CAR 24:1									
CAR 26:1									
CAR 28:3									
CAR 4:0									
CAR 6:0									
Carnosine									
Cer 32:1;2O									
Cer 34:1;2O									
Cer 34:2;2O									
Cer 36:1;2O									
Cer 36:2;2O									
Cer 38:2;2O									
Cer 40:2;2O									
Cer 42:2;2O									
Cer 42:3;2O									
Cer 44:3;2O									
Cer 46:5;2O									
Choline									
cis-Aconitic acid									
Citramalic acid									
Citric acid									
Citrulline									
Creatine									
Creatinine									
Cytidine									
Cytosine									
D-Galactose									
D-Galacturonic acid									
D-(+)-Glucosamine									
Dihydroxyacetone phosphate									
Dodecylbenzenesulfonic acid									
D-Ribose									
D-Ribose 5-Phosphate									
FA 18:3;3O									
FA 20:2;4O									
FA 20:3;3O									
FA 20:3;4O									
FA 20:4									
FA 20:4;2O									
FA 20:4;3O									
FA 20:4;4O									
FA 20:4;O									
FA 20:5;2O									
FA 20:5;3O									
FA 3:0									
Fructose 1-phosphate									
GABA									
Gamma-Glutamylleucine									
gamma-Glutamyl-L-glutamic Acid									
Gamma-Glutamylmethionine									
Gamma-Glutamyltyrosine									
Gluconic acid									
Glucosamine 6-phosphate									
Glutamylthreonine									
Glyceraldehyde									
Glyceric acid									
Glycerol 3-phosphate									
Glycerophosphocholine									
Glycylleucine									
Glycyl-L-Proline									
Glycylvaline									
Guanine									
Guanosine									
Hex2Cer 34:1;2O									
HexCer 34:1;2O									
Histamine									
Hypotaurine									
Hypoxanthine									
Inosine									
L-Arginine									
L-Asparagine									
L-Aspartic acid									
L-Carnitine									
LCP 18:1									
LCP 18:2									
L-Cystine									
L-Glutamic acid									
L-Glutamine									
L-Histidine									
L-Isoleucine									
L-Lysine									
LPA 18:4									
LPC 14:0									
LPC 16:0									
LPC 16:1									
LPC 18:0									
LPC 18:3									
LPC 20:1									
LPC 20:3									
LPC 20:4									
LPC 22:4									
LPC 22:6									
LPC O-16:0									
LPC O-16:1/ LPC P-16:0									
LPC O-18:0									
LPC O-18:1/ LPC P-18:0									
LPC O-18:2/ LPC P-18:1									
LPC O-20:0									
LPC O-20:1/ LPC P-20:0									
LPC O-22:0									
LPC O-22:1/ LPC P-22:0									
LPC O-24:0									
LPC O-24:1/ LPC P-24:0									
LPE 14:0									
LPE 16:0									
LPE 16:1									
LPE 18:0									
LPE 18:1									
LPE 18:2									
LPE 20:1									
LPE 20:2									
LPE 20:3									
LPE 20:4									
LPE 22:4									
LPE 22:6									
LPE 24:4									
LPE 24:5									
LPE 26:4									
LPE O-16:0									
LPE O-18:1/ LPE P-18:0									
LPE O-18:2/ LPE P-18:1									
LPE O-20:2/ LPE P-20:1									
LPG 16:0									
LPG 18:1									
L-Phenylalanine									
LPI 16:0									
LPI 18:0									
LPS 16:0									
LPS 18:0									
LPS 18:1									
LPS 20:4									
LPS 22:6									
L-Serine									
L-Threonine									
L-Tryptophan									
L-Tyrosine									
L-Valine									
Malic acid									
Methionine									
Methionine sulfoxide									
Methylglutamic acid									
N1-Acetylspermine									
N6-Acetyl-L-lysine									
N8-Acetylspermidine									
N-Acetylhistidine									
N-Acetyl-L-aspartic acid									
N-Acetylleucine									
N-Acetyl-L-glutamic acid									
N-Acetyl-L-methionine									
N-Acetylmannosamine									
N-Acetylputrescine									
NAE 12:0									
NAE 14:0									
NAE 16:0									
NAE 18:0									
NAE 20:0									
"N,N'-dimethylarginine"									
Ornithine									
Orotic acid									
Panthenol									
Pantothenic acid									
PC 20:0									
PC 30:0									
PC 32:0									
PC 32:1									
PC 32:2									
PC 32:3									
PC 34:2									
PC 34:3									
PC 34:4									
PC 34:5									
PC 36:3									
PC 36:4									
PC 36:5									
PC 36:6									
PC 38:6									
PC 38:7									
PC 38:9									
PC 40:6									
PC 40:7									
PC 42:10									
PC 42:9									
PC 44:12									
PC O-32:0									
PC O-32:2/ PC P-32:1									
PC O-34:1/ PC P-34:0									
PC O-34:2/ PC P-34:1									
PC O-34:3/ PC P-34:2									
PC O-36:2/ PC P-36:1									
PC O-36:4/ PC P-36:3									
PC O-36:5/ PC P-36:4									
PC O-38:4/ PC P-38:3									
PC O-38:6/ PC P-38:5									
PC O-38:7/PC P-38:6									
PC O-38:8/ PC P-38:7									
PC O-40:10/ PC P-40:9									
PC O-40:7/ PC P-40:6									
PC O-40:8/ PC P-40:7									
PC O-40:9/ PC P-40:8									
PC O-42:10/ PC P-42:9									
PC O-44:6/ PC P-44:5									
PE 34:1									
PE 34:2									
PE 36:2									
PE 36:3									
PE 36:4									
PE 38:4									
PE 38:6									
PE 40:4									
PE 40:6									
PE 40:7									
PE O-34:2/ PE P-34:1									
PE O-36:3/ PE P-36:2									
PE O-36:5/PE P-36:4									
PE O-38:6/ PE P-38:5									
PE O-38:7/PE P-38:6									
PE O-40:7									
PE O-40:8									
PE O-40:9/ PE P-40:8									
PE O-42:10/ PE P-42:9									
PE P-40:6									
PE P-40:7									
PG 34:1									
Phenylacetylglutamine									
Phosphate									
Phosphoenolpyruvic acid									
Phosphorylcholine									
PI 32:0									
PI 34:1									
PI 34:2									
PI 36:3									
Pipecolinic acid									
Piperidine									
Proline									
Propionylcarnitine									
PS 34:1									
PS 34:2;3O									
PS 36:1									
PS 36:2									
PS 36:3;3O									
PS 38:4									
PS 40:6									
PS 40:7									
PS 40:9									
PS 42:9									
PS O-38:6/ PS P-38:5									
Purine									
Putrescine									
Pyridoxamine									
Pyroglutamic acid									
SHexCer 34:1;2O									
SM 20:2;3O									
SM 32:0;2O									
SM 32:1;2O									
SM 34:0;2O									
SM 34:1;2O									
SM 34:1;3O									
SM 34:2;2O									
SM 36:1;2O									
SM 36:1;3O									
SM 36:2;2O									
SM 36:2;3O									
SM 36:5;2O									
SM 38:1;2O									
SM 38:2;2O									
SM 38:2;3O									
SM 40:2;2O									
SM 40:3;2O									
SM 40:4;2O									
SM 40:5;2O									
SM 40:9;3O									
SM 42:2;2O									
SM 42:3;2O									
SM 42:5;2O									
SM 42:6;3O									
SM 44:3;2O									
SM 44:5;2O									
SM 44:6;2O									
SM 46:5;2O									
SM 46:6;2O									
SM 46:7;2O									
SM 48:5;2O									
Spermidine									
Spermine									
Succinic acid									
Sucrose									
Targinine									
Taurine									
Trehalose									
Trimethylamine N-oxide									
Tyramine									
Uracil									
Uridine									
Urocanic acid									
Xanthine									
METABOLITES_END
#END