#METABOLOMICS WORKBENCH STUDY_ID:ST000081 ANALYSIS_ID:AN000132 PROJECT_ID:PR000058
VERSION             	1
CREATED_ON          	2016-09-17
#PROJECT
PR:PROJECT_TITLE                 	Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal
PR:PROJECT_TITLE                 	Patients: Unraveling the Link Between Adipose Tissue and Cancer
PR:PROJECT_TYPE                  	biomarker study
PR:PROJECT_SUMMARY               	This West Coast Metabolomics Center pilot and feasibility project was granted
PR:PROJECT_SUMMARY               	Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington,
PR:PROJECT_SUMMARY               	In the current investigation, unbiased profiling of the metabolome and lipidome
PR:PROJECT_SUMMARY               	adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50
PR:PROJECT_SUMMARY               	patients, including stages I-IV, from the Fred Hutchinson Cancer Center
PR:PROJECT_SUMMARY               	and the German Cancer Research Center (Heidelberg, Germany) was conducted. The
PR:PROJECT_SUMMARY               	and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using
PR:PROJECT_SUMMARY               	UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively. The primary
PR:PROJECT_SUMMARY               	of this project were to 1) compare the metabolome and lipidome of matched VAT
PR:PROJECT_SUMMARY               	SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2)
PR:PROJECT_SUMMARY               	the associations between the lipidome and metabolome in adipose tissue
PR:PROJECT_SUMMARY               	and serum of n=50 CRC patients and 3) test the associations between the
PR:PROJECT_SUMMARY               	of VAT and serum with the tumor stage of CRC patients.
PR:INSTITUTE                     	University of California, Davis
PR:DEPARTMENT                    	Genome and Biomedical Sciences Facility
PR:LABORATORY                    	WCMC Metabolomics Core
PR:LAST_NAME                     	Fiehn
PR:FIRST_NAME                    	Oliver
PR:ADDRESS                       	1315 Genome and Biomedical Sciences Facility,451 Health Sciences Drive, Davis,
PR:ADDRESS                       	95616
PR:EMAIL                         	ofiehn@ucdavis.edu
PR:PHONE                         	(530) 754-8258
PR:FUNDING_SOURCE                	NIH U24DK097154
#STUDY
ST:STUDY_TITLE                   	Metabolic Profiling of Visceral and Subcutaneous Adipose Tissue from Colorectal
ST:STUDY_TITLE                   	Patients: UHPLC-QTOF MS analyis of subcutaneous and visceral adipose tissue
ST:STUDY_TYPE                    	biomarker study
ST:STUDY_SUMMARY                 	This West Coast Metabolomics Center pilot and feasibility project was granted
ST:STUDY_SUMMARY                 	Johanna Lampe (Fred Hutchinson Cancer Research Center at Univ. of Washington,
ST:STUDY_SUMMARY                 	In the current investigation, unbiased profiling of the metabolome and lipidome
ST:STUDY_SUMMARY                 	adipose tissue samples (visceral(VAT) and subcutaenous (SAT)) and serum of 50
ST:STUDY_SUMMARY                 	patients, including stages I-IV, from the Fred Hutchinson Cancer Center
ST:STUDY_SUMMARY                 	and the German Cancer Research Center (Heidelberg, Germany) was conducted. The
ST:STUDY_SUMMARY                 	and metabolome of adipose tissue (VAT/SAT) and serum were analyzed using
ST:STUDY_SUMMARY                 	UPLC-QTOFMS analysis and GC-TOFMS analyses, respectively.  The primary
ST:STUDY_SUMMARY                 	of this project were to 1) compare the metabolome and lipidome
ST:STUDY_SUMMARY                 	SAT adipose tissue of n=50 Colorectal Cancer Cell (CRC) patients, 2)
ST:STUDY_SUMMARY                 	the associations between the lipidome and metabolome in adipose tissue
ST:STUDY_SUMMARY                 	and serum of n=50 CRC patients and 3) test the associations between the
ST:STUDY_SUMMARY                 	of VAT and serum with the tumor stage of CRC patients. 
ST:INSTITUTE                     	University of California, Davis
ST:DEPARTMENT                    	Genome and Biomedical Sciences Facility
ST:LABORATORY                    	WCMC Metabolomics Core
ST:LAST_NAME                     	Fiehn
ST:FIRST_NAME                    	Oliver
ST:ADDRESS                       	1315 Genome and Biomedical Sciences Facility451 Health Sciences DriveDavis, CA
ST:EMAIL                         	ofiehn@ucdavis.edu
ST:PHONE                         	(530) 754-8258
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	59
ST:STUDY_COMMENTS                	Lipidomics profiles for studyThis is the SAT and VAT part of the studyLabel-ID
ST:STUDY_COMMENTS                	conserved for all parts of the study---The samples had to be diluted for
ST:STUDY_COMMENTS                	mode measurements (therefore 2 dilutions are measured for the same sample).
ST:STUDY_COMMENTS                	are then combined and scaling factor is used for final results.
#SUBJECT
SU:SUBJECT_TYPE                  	adipose tissue
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:SPECIES_GROUP                 	Human
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	QC01	Tissue type:Adipose Tissue_QC	QC01
SUBJECT_SAMPLE_FACTORS           	-	QC 02	Tissue type:Adipose Tissue_QC	QC 02
SUBJECT_SAMPLE_FACTORS           	-	QC 03	Tissue type:Adipose Tissue_QC	QC 03
SUBJECT_SAMPLE_FACTORS           	-	QC 04	Tissue type:Adipose Tissue_QC	QC 04
SUBJECT_SAMPLE_FACTORS           	-	QC 05	Tissue type:Adipose Tissue_QC	QC 05
SUBJECT_SAMPLE_FACTORS           	-	QC 06	Tissue type:Adipose Tissue_QC	QC 06
SUBJECT_SAMPLE_FACTORS           	Patient 1	SAT_1	Tissue type:Subcutaenous Adipose	Tissue Weight=6.32mg
SUBJECT_SAMPLE_FACTORS           	Patient 10	SAT_10	Tissue type:Subcutaenous Adipose	Tissue Weight=4.42mg
SUBJECT_SAMPLE_FACTORS           	Patient 11	SAT_11	Tissue type:Subcutaenous Adipose	Tissue Weight=5.54mg
SUBJECT_SAMPLE_FACTORS           	Patient 12	SAT_12	Tissue type:Subcutaenous Adipose	Tissue Weight=5.52mg
SUBJECT_SAMPLE_FACTORS           	Patient 13	SAT_13	Tissue type:Subcutaenous Adipose	Tissue Weight=4.84mg
SUBJECT_SAMPLE_FACTORS           	Patient 14	SAT_14	Tissue type:Subcutaenous Adipose	Tissue Weight=4.76mg
SUBJECT_SAMPLE_FACTORS           	Patient 15	SAT_15	Tissue type:Subcutaenous Adipose	Tissue Weight=4.65mg
SUBJECT_SAMPLE_FACTORS           	Patient 16	SAT_16	Tissue type:Subcutaenous Adipose	Tissue Weight=4.56mg
SUBJECT_SAMPLE_FACTORS           	Patient 17	SAT_17	Tissue type:Subcutaenous Adipose	Tissue Weight=5.7mg
SUBJECT_SAMPLE_FACTORS           	Patient 18	SAT_18	Tissue type:Subcutaenous Adipose	Tissue Weight=5.23mg
SUBJECT_SAMPLE_FACTORS           	Patient 19	SAT_19	Tissue type:Subcutaenous Adipose	Tissue Weight=5.66mg
SUBJECT_SAMPLE_FACTORS           	Patient 2	SAT_2	Tissue type:Subcutaenous Adipose	Tissue Weight=5.31mg
SUBJECT_SAMPLE_FACTORS           	Patient 20	SAT_20	Tissue type:Subcutaenous Adipose	Tissue Weight=4.2mg
SUBJECT_SAMPLE_FACTORS           	Patient 21	SAT_21	Tissue type:Subcutaenous Adipose	Tissue Weight=6.31mg
SUBJECT_SAMPLE_FACTORS           	Patient 22	SAT_22	Tissue type:Subcutaenous Adipose	Tissue Weight=4.67mg
SUBJECT_SAMPLE_FACTORS           	Patient 23	SAT_23	Tissue type:Subcutaenous Adipose	Tissue Weight=4.48mg
SUBJECT_SAMPLE_FACTORS           	Patient 24	SAT_24	Tissue type:Subcutaenous Adipose	Tissue Weight=6.17mg
SUBJECT_SAMPLE_FACTORS           	Patient 25	SAT_25	Tissue type:Subcutaenous Adipose	Tissue Weight=5.13mg
SUBJECT_SAMPLE_FACTORS           	Patient 26	SAT_26	Tissue type:Subcutaenous Adipose	Tissue Weight=6.07mg
SUBJECT_SAMPLE_FACTORS           	Patient 27	SAT_27	Tissue type:Subcutaenous Adipose	Tissue Weight=4.49mg
SUBJECT_SAMPLE_FACTORS           	Patient 28	SAT_28	Tissue type:Subcutaenous Adipose	Tissue Weight=4.36mg
SUBJECT_SAMPLE_FACTORS           	Patient 29	SAT_29	Tissue type:Subcutaenous Adipose	Tissue Weight=5.2mg
SUBJECT_SAMPLE_FACTORS           	Patient 3	SAT_3	Tissue type:Subcutaenous Adipose	Tissue Weight=5.22mg
SUBJECT_SAMPLE_FACTORS           	Patient 30	SAT_30	Tissue type:Subcutaenous Adipose	Tissue Weight=4.78mg
SUBJECT_SAMPLE_FACTORS           	Patient 31	SAT_31	Tissue type:Subcutaenous Adipose	Tissue Weight=4.41mg
SUBJECT_SAMPLE_FACTORS           	Patient 32	SAT_32	Tissue type:Subcutaenous Adipose	Tissue Weight=5.25mg
SUBJECT_SAMPLE_FACTORS           	Patient 33	SAT_33	Tissue type:Subcutaenous Adipose	Tissue Weight=4.78mg
SUBJECT_SAMPLE_FACTORS           	Patient 34	SAT_34	Tissue type:Subcutaenous Adipose	Tissue Weight=4.82mg
SUBJECT_SAMPLE_FACTORS           	Patient 35	SAT_35	Tissue type:Subcutaenous Adipose	Tissue Weight=5.75mg
SUBJECT_SAMPLE_FACTORS           	Patient 36	SAT_36	Tissue type:Subcutaenous Adipose	Tissue Weight=5.82mg
SUBJECT_SAMPLE_FACTORS           	Patient 37	SAT_37	Tissue type:Subcutaenous Adipose	Tissue Weight=4.63mg
SUBJECT_SAMPLE_FACTORS           	Patient 38	SAT_38	Tissue type:Subcutaenous Adipose	Tissue Weight=4.53mg
SUBJECT_SAMPLE_FACTORS           	Patient 39	SAT_39	Tissue type:Subcutaenous Adipose	Tissue Weight=5.02mg
SUBJECT_SAMPLE_FACTORS           	Patient 4	SAT_4	Tissue type:Subcutaenous Adipose	Tissue Weight=4.61mg
SUBJECT_SAMPLE_FACTORS           	Patient 40	SAT_40	Tissue type:Subcutaenous Adipose	Tissue Weight=5.78mg
SUBJECT_SAMPLE_FACTORS           	Patient 41	SAT_41	Tissue type:Subcutaenous Adipose	Tissue Weight=4.98mg
SUBJECT_SAMPLE_FACTORS           	Patient 42	SAT_42	Tissue type:Subcutaenous Adipose	Tissue Weight=6.46mg
SUBJECT_SAMPLE_FACTORS           	Patient 43	SAT_43	Tissue type:Subcutaenous Adipose	Tissue Weight=5.82mg
SUBJECT_SAMPLE_FACTORS           	Patient 44	SAT_44	Tissue type:Subcutaenous Adipose	Tissue Weight=5.76mg
SUBJECT_SAMPLE_FACTORS           	Patient 45	SAT_45	Tissue type:Subcutaenous Adipose	Tissue Weight=6.55mg
SUBJECT_SAMPLE_FACTORS           	Patient 46	SAT_46	Tissue type:Subcutaenous Adipose	Tissue Weight=5.15mg
SUBJECT_SAMPLE_FACTORS           	Patient 47	SAT_47	Tissue type:Subcutaenous Adipose	Tissue Weight=5.96mg
SUBJECT_SAMPLE_FACTORS           	Patient 48	SAT_48	Tissue type:Subcutaenous Adipose	Tissue Weight=4.92mg
SUBJECT_SAMPLE_FACTORS           	Patient 49	SAT_49	Tissue type:Subcutaenous Adipose	Tissue Weight=5.65mg
SUBJECT_SAMPLE_FACTORS           	Patient 5	SAT_5	Tissue type:Subcutaenous Adipose	Tissue Weight=6.13mg
SUBJECT_SAMPLE_FACTORS           	Patient 50	SAT_50	Tissue type:Subcutaenous Adipose	Tissue Weight=5.2mg
SUBJECT_SAMPLE_FACTORS           	Patient 51	SAT_51	Tissue type:Subcutaenous Adipose	Tissue Weight=6.21mg
SUBJECT_SAMPLE_FACTORS           	Patient 52	SAT_52	Tissue type:Subcutaenous Adipose	Tissue Weight=6mg
SUBJECT_SAMPLE_FACTORS           	Patient 53	SAT_53	Tissue type:Subcutaenous Adipose	Tissue Weight=6.01mg
SUBJECT_SAMPLE_FACTORS           	Patient 54	SAT_54	Tissue type:Subcutaenous Adipose	Tissue Weight=5.48mg
SUBJECT_SAMPLE_FACTORS           	Patient 55	SAT_55	Tissue type:Subcutaenous Adipose	Tissue Weight=5.76mg
SUBJECT_SAMPLE_FACTORS           	Patient 56	SAT_56	Tissue type:Subcutaenous Adipose	Tissue Weight=4.7mg
SUBJECT_SAMPLE_FACTORS           	Patient 57	SAT_57	Tissue type:Subcutaenous Adipose	Tissue Weight=4.25mg
SUBJECT_SAMPLE_FACTORS           	Patient 58	SAT_58	Tissue type:Subcutaenous Adipose	Tissue Weight=4.63mg
SUBJECT_SAMPLE_FACTORS           	Patient 59	SAT_59	Tissue type:Subcutaenous Adipose	Tissue Weight=5.21mg
SUBJECT_SAMPLE_FACTORS           	Patient 6	SAT_6	Tissue type:Subcutaenous Adipose	Tissue Weight=5.05mg
SUBJECT_SAMPLE_FACTORS           	Patient 7	SAT_7	Tissue type:Subcutaenous Adipose	Tissue Weight=5.27mg
SUBJECT_SAMPLE_FACTORS           	Patient 8	SAT_8	Tissue type:Subcutaenous Adipose	Tissue Weight=5.36mg
SUBJECT_SAMPLE_FACTORS           	Patient 9	SAT_9	Tissue type:Subcutaenous Adipose	Tissue Weight=6.66mg
SUBJECT_SAMPLE_FACTORS           	Patient 1	VAT_1	Tissue type:Visceral Adipose	Tissue Weight=5.86mg
SUBJECT_SAMPLE_FACTORS           	Patient 10	VAT_10	Tissue type:Visceral Adipose	Tissue Weight=5.81mg
SUBJECT_SAMPLE_FACTORS           	Patient 11	VAT_11	Tissue type:Visceral Adipose	Tissue Weight=5.84mg
SUBJECT_SAMPLE_FACTORS           	Patient 12	VAT_12	Tissue type:Visceral Adipose	Tissue Weight=5.26mg
SUBJECT_SAMPLE_FACTORS           	Patient 13	VAT_13	Tissue type:Visceral Adipose	Tissue Weight=5.08mg
SUBJECT_SAMPLE_FACTORS           	Patient 14	VAT_14	Tissue type:Visceral Adipose	Tissue Weight=4.85mg
SUBJECT_SAMPLE_FACTORS           	Patient 15	VAT_15	Tissue type:Visceral Adipose	Tissue Weight=5.38mg
SUBJECT_SAMPLE_FACTORS           	Patient 16	VAT_16	Tissue type:Visceral Adipose	Tissue Weight=5.4mg
SUBJECT_SAMPLE_FACTORS           	Patient 17	VAT_17	Tissue type:Visceral Adipose	Tissue Weight=5.98mg
SUBJECT_SAMPLE_FACTORS           	Patient 18	VAT_18	Tissue type:Visceral Adipose	Tissue Weight=5.77mg
SUBJECT_SAMPLE_FACTORS           	Patient 19	VAT_19	Tissue type:Visceral Adipose	Tissue Weight=4.41mg
SUBJECT_SAMPLE_FACTORS           	Patient 2	VAT_2	Tissue type:Visceral Adipose	Tissue Weight=4.32mg
SUBJECT_SAMPLE_FACTORS           	Patient 20	VAT_20	Tissue type:Visceral Adipose	Tissue Weight=5.02mg
SUBJECT_SAMPLE_FACTORS           	Patient 21	VAT_21	Tissue type:Visceral Adipose	Tissue Weight=4.79mg
SUBJECT_SAMPLE_FACTORS           	Patient 22	VAT_22	Tissue type:Visceral Adipose	Tissue Weight=5.39mg
SUBJECT_SAMPLE_FACTORS           	Patient 23	VAT_23	Tissue type:Visceral Adipose	Tissue Weight=5.3mg
SUBJECT_SAMPLE_FACTORS           	Patient 24	VAT_24	Tissue type:Visceral Adipose	Tissue Weight=5.16mg
SUBJECT_SAMPLE_FACTORS           	Patient 25	VAT_25	Tissue type:Visceral Adipose	Tissue Weight=4.8mg
SUBJECT_SAMPLE_FACTORS           	Patient 26	VAT_26	Tissue type:Visceral Adipose	Tissue Weight=5.92mg
SUBJECT_SAMPLE_FACTORS           	Patient 27	VAT_27	Tissue type:Visceral Adipose	Tissue Weight=5.26mg
SUBJECT_SAMPLE_FACTORS           	Patient 28	VAT_28	Tissue type:Visceral Adipose	Tissue Weight=5.14mg
SUBJECT_SAMPLE_FACTORS           	Patient 29	VAT_29	Tissue type:Visceral Adipose	Tissue Weight=4.72mg
SUBJECT_SAMPLE_FACTORS           	Patient 3	VAT_3	Tissue type:Visceral Adipose	Tissue Weight=5.22mg
SUBJECT_SAMPLE_FACTORS           	Patient 30	VAT_30	Tissue type:Visceral Adipose	Tissue Weight=6.21mg
SUBJECT_SAMPLE_FACTORS           	Patient 31	VAT_31	Tissue type:Visceral Adipose	Tissue Weight=5.91mg
SUBJECT_SAMPLE_FACTORS           	Patient 32	VAT_32	Tissue type:Visceral Adipose	Tissue Weight=5.26mg
SUBJECT_SAMPLE_FACTORS           	Patient 33	VAT_33	Tissue type:Visceral Adipose	Tissue Weight=4.35mg
SUBJECT_SAMPLE_FACTORS           	Patient 34	VAT_34	Tissue type:Visceral Adipose	Tissue Weight=4.52mg
SUBJECT_SAMPLE_FACTORS           	Patient 35	VAT_35	Tissue type:Visceral Adipose	Tissue Weight=4.64mg
SUBJECT_SAMPLE_FACTORS           	Patient 36	VAT_36	Tissue type:Visceral Adipose	Tissue Weight=4.77mg
SUBJECT_SAMPLE_FACTORS           	Patient 37	VAT_37	Tissue type:Visceral Adipose	Tissue Weight=4.72mg
SUBJECT_SAMPLE_FACTORS           	Patient 38	VAT_38	Tissue type:Visceral Adipose	Tissue Weight=4.73mg
SUBJECT_SAMPLE_FACTORS           	Patient 39	VAT_39	Tissue type:Visceral Adipose	Tissue Weight=5.53mg
SUBJECT_SAMPLE_FACTORS           	Patient 4	VAT_4	Tissue type:Visceral Adipose	Tissue Weight=4.59mg
SUBJECT_SAMPLE_FACTORS           	Patient 40	VAT_40	Tissue type:Visceral Adipose	Tissue Weight=5.01mg
SUBJECT_SAMPLE_FACTORS           	Patient 41	VAT_41	Tissue type:Visceral Adipose	Tissue Weight=5.32mg
SUBJECT_SAMPLE_FACTORS           	Patient 42	VAT_42	Tissue type:Visceral Adipose	Tissue Weight=5.35mg
SUBJECT_SAMPLE_FACTORS           	Patient 43	VAT_43	Tissue type:Visceral Adipose	Tissue Weight=4.74mg
SUBJECT_SAMPLE_FACTORS           	Patient 44	VAT_44	Tissue type:Visceral Adipose	Tissue Weight=5.45mg
SUBJECT_SAMPLE_FACTORS           	Patient 45	VAT_45	Tissue type:Visceral Adipose	Tissue Weight=5.61mg
SUBJECT_SAMPLE_FACTORS           	Patient 46	VAT_46	Tissue type:Visceral Adipose	Tissue Weight=5.31mg
SUBJECT_SAMPLE_FACTORS           	Patient 47	VAT_47	Tissue type:Visceral Adipose	Tissue Weight=5.15mg
SUBJECT_SAMPLE_FACTORS           	Patient 48	VAT_48	Tissue type:Visceral Adipose	Tissue Weight=4.46mg
SUBJECT_SAMPLE_FACTORS           	Patient 49	VAT_49	Tissue type:Visceral Adipose	Tissue Weight=5.05mg
SUBJECT_SAMPLE_FACTORS           	Patient 5	VAT_5	Tissue type:Visceral Adipose	Tissue Weight=4.1mg
SUBJECT_SAMPLE_FACTORS           	Patient 50	VAT_50	Tissue type:Visceral Adipose	Tissue Weight=4.65mg
SUBJECT_SAMPLE_FACTORS           	Patient 51	VAT_51	Tissue type:Visceral Adipose	Tissue Weight=6.01mg
SUBJECT_SAMPLE_FACTORS           	Patient 52	VAT_52	Tissue type:Visceral Adipose	Tissue Weight=4.64mg
SUBJECT_SAMPLE_FACTORS           	Patient 53	VAT_53	Tissue type:Visceral Adipose	Tissue Weight=5.14mg
SUBJECT_SAMPLE_FACTORS           	Patient 54	VAT_54	Tissue type:Visceral Adipose	Tissue Weight=5.01mg
SUBJECT_SAMPLE_FACTORS           	Patient 55	VAT_55	Tissue type:Visceral Adipose	Tissue Weight=4.71mg
SUBJECT_SAMPLE_FACTORS           	Patient 56	VAT_56	Tissue type:Visceral Adipose	Tissue Weight=4.32mg
SUBJECT_SAMPLE_FACTORS           	Patient 57	VAT_57	Tissue type:Visceral Adipose	Tissue Weight=5.23mg
SUBJECT_SAMPLE_FACTORS           	Patient 58	VAT_58	Tissue type:Visceral Adipose	Tissue Weight=6.12mg
SUBJECT_SAMPLE_FACTORS           	Patient 59	VAT_59	Tissue type:Visceral Adipose	Tissue Weight=5mg
SUBJECT_SAMPLE_FACTORS           	Patient 6	VAT_6	Tissue type:Visceral Adipose	Tissue Weight=5.41mg
SUBJECT_SAMPLE_FACTORS           	Patient 7	VAT_7	Tissue type:Visceral Adipose	Tissue Weight=5.97mg
SUBJECT_SAMPLE_FACTORS           	Patient 8	VAT_8	Tissue type:Visceral Adipose	Tissue Weight=5.74mg
SUBJECT_SAMPLE_FACTORS           	Patient 9	VAT_9	Tissue type:Visceral Adipose	Tissue Weight=4.5mg
#COLLECTION
CO:COLLECTION_SUMMARY            	-
CO:COLLECTION_PROTOCOL_FILENAME  	Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf
CO:SAMPLE_TYPE                   	Adipose tissue:
#TREATMENT
TR:TREATMENT_SUMMARY             	Adipose tissue: (1) Subcutaenous Adipose (2) Visceral Adipose
TR:TREATMENT_PROTOCOL_FILENAME   	Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	-
SP:SAMPLEPREP_PROTOCOL_FILENAME  	Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf;Subcutaneous_and_Visceral_Fat_Extraction_Protocol.docx
SP:SAMPLEPREP_PROTOCOL_COMMENTS  	see Subcutaneous and Visceral Fat Extraction Protocol.docx
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	UPLC
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	Waters Acquity CSH C18 (100 x 2.1mm, 1.7um)
CH:COLUMN_NAME                   	Pre-Column
CH:METHODS_FILENAME              	Data_Dictionary_Fiehn_laboratory_CSH_QTOF_lipidomics.pdf
CH:COLUMN_PRESSURE               	450-850 bar
CH:COLUMN_TEMPERATURE            	65 C
CH:FLOW_GRADIENT                 	15% B to 99% B
CH:FLOW_RATE                     	0.6 mL/min
CH:INTERNAL_STANDARD             	See data dictionary
CH:RETENTION_TIME                	See data dictionary
CH:SAMPLE_INJECTION              	1.67 uL
CH:SOLVENT_A                     	60:40 Acetonitrile:Water +10mM Ammonium Formate +10mM Formic Acid
CH:SOLVENT_B                     	9:1 Isopropanol:Acetonitrile +10mM Ammonium Formate +10mM Formic Acid
CH:ANALYTICAL_TIME               	13 min
CH:CAPILLARY_VOLTAGE             	3500
CH:TIME_PROGRAM                  	15 min
CH:WEAK_WASH_SOLVENT_NAME        	Isopropanol
CH:WEAK_WASH_VOLUME              	5 seconds
CH:STRONG_WASH_SOLVENT_NAME      	Same
CH:TARGET_SAMPLE_TEMPERATURE     	Autosampler temp 4 C
CH:RANDOMIZATION_ORDER           	Excel
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	WCMC Metabolomics Core
AN:SOFTWARE_VERSION              	MassHunter
AN:DETECTOR_TYPE                 	TOF MCP
AN:DATA_FORMAT                   	.d
#MS
MS:INSTRUMENT_NAME               	Agilent 6550 QTOF
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:CAPILLARY_VOLTAGE             	3500
MS:COLLISION_GAS                 	Nitrogen
MS:DRY_GAS_FLOW                  	13 l/min
MS:DRY_GAS_TEMP                  	200
MS:FRAGMENT_VOLTAGE              	175
MS:FRAGMENTATION_METHOD          	Auto MS/MS
MS:ION_SOURCE_TEMPERATURE        	325
MS:ION_SPRAY_VOLTAGE             	1000
MS:IONIZATION                    	Neg
MS:PRECURSOR_TYPE                	Intact Molecule
MS:REAGENT_GAS                   	Nitrogen
MS:SOURCE_TEMPERATURE            	325 C
MS:DATAFORMAT                    	.d
MS:DESOLVATION_GAS_FLOW          	11 l/min
MS:DESOLVATION_TEMPERATURE       	350 C
MS:NEBULIZER                     	35 psig
MS:OCTPOLE_VOLTAGE               	750
MS:SCAN_RANGE_MOVERZ             	60-1700 Da
MS:SCANNING_CYCLE                	2 Hz
MS:SCANNING_RANGE                	60-1700 Da
MS:SKIMMER_VOLTAGE               	65
MS:MS_COMMENTS                   	ESI/QTOF MS analysis (negative ion mode)
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	Peak area
MS_METABOLITE_DATA_START
Samples	QC01	QC 02	QC 03	QC 04	QC 05	QC 06	SAT_1	SAT_10	SAT_11	SAT_12	SAT_13	SAT_14	SAT_15	SAT_16	SAT_17	SAT_18	SAT_19	SAT_2	SAT_20	SAT_21	SAT_22	SAT_23	SAT_24	SAT_25	SAT_26	SAT_27	SAT_28	SAT_29	SAT_3	SAT_30	SAT_31	SAT_32	SAT_33	SAT_34	SAT_35	SAT_36	SAT_37	SAT_38	SAT_39	SAT_4	SAT_40	SAT_41	SAT_42	SAT_43	SAT_44	SAT_45	SAT_46	SAT_47	SAT_48	SAT_49	SAT_5	SAT_50	SAT_51	SAT_52	SAT_53	SAT_54	SAT_55	SAT_56	SAT_57	SAT_58	SAT_59	SAT_6	SAT_7	SAT_8	SAT_9	VAT_1	VAT_10	VAT_11	VAT_12	VAT_13	VAT_14	VAT_15	VAT_16	VAT_17	VAT_18	VAT_19	VAT_2	VAT_20	VAT_21	VAT_22	VAT_23	VAT_24	VAT_25	VAT_26	VAT_27	VAT_28	VAT_29	VAT_3	VAT_30	VAT_31	VAT_32	VAT_33	VAT_34	VAT_35	VAT_36	VAT_37	VAT_38	VAT_39	VAT_4	VAT_40	VAT_41	VAT_42	VAT_43	VAT_44	VAT_45	VAT_46	VAT_47	VAT_48	VAT_49	VAT_5	VAT_50	VAT_51	VAT_52	VAT_53	VAT_54	VAT_55	VAT_56	VAT_57	VAT_58	VAT_59	VAT_6	VAT_7	VAT_8	VAT_9
Factors	Tissue type:Adipose Tissue_QC	Tissue type:Adipose Tissue_QC	Tissue type:Adipose Tissue_QC	Tissue type:Adipose Tissue_QC	Tissue type:Adipose Tissue_QC	Tissue type:Adipose Tissue_QC	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Subcutaenous Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose	Tissue type:Visceral Adipose
Cer (d34:1)	27325.7500	31364.7500	30731.9316	27316.4512	29635.4316	45483.5508	22133.4970	24233.2327	36553.5241	26865.7350	20594.4905	29420.9169	16523.3629	28265.4729	20982.1563	16393.6537	22547.7498	24879.1214	36792.2061	23273.3384	29339.9588	45516.4926	24103.8148	24162.7014	15555.7236	22194.6361	17823.6666	27486.4389	17509.9639	23723.5552	35482.6433	21059.8717	24823.2095	35587.6880	21990.9035	33986.1603	26897.4905	14002.1040	27595.1467	34832.8193	19346.8351	21549.7537	20279.7700	20418.8094	23076.3991	29922.7934	29194.6867	29678.4062	65601.8960	29519.4621	14471.9712	563.3547	18799.3423	14542.1924	23025.4621	13606.4052	21370.7055	43831.8276	57894.0625	34204.8777	15656.2894	24395.0959	41131.4820	58319.2376	29332.5738	40113.7912	48447.2051	45804.4935	21406.0309	51078.2134	43383.0581	50594.6721	41239.6810	16455.5729	29947.6244	45719.5472	44451.1628	65178.3374	51466.5971	23037.8975	43736.0038	88390.0345	44793.7663	43992.7550	41510.9687	33401.2076	35387.9891	39160.6015	53487.1805	54304.1356	34707.4063	36977.6311	61275.0752	39429.5023	41985.6239	45293.3701	29690.8922	58341.1117	53677.2833	46892.6288	44709.7774	37697.3642	32887.8787	39235.1168	25351.8584	47009.5229	36020.4907	34449.7180	49609.6225	35526.6220	25369.7959	29733.3611	36988.1971	40581.6399	25850.3540	36487.8997	47209.5676	42788.2297	28363.2334	44589.1094	39379.9099	37684.5392	47824.6135	41477.3915
Cer (d38:1)	5722.1128	6064.8809	6126.7949	5803.5942	6424.9580	10047.0254	2850.2323	2866.3220	2224.1779	4890.1341	2587.6029	4379.4079	1476.3873	2957.0918	3228.9966	2688.0611	2477.5777	5168.8952	4330.2014	3473.1983	4518.3979	4027.9187	3672.6996	2506.4647	2716.6279	4234.5164	3627.0590	3776.1292	2056.0808	3686.2933	4478.8591	3578.2024	3829.3845	3843.5436	2859.8979	4669.8128	3950.6053	1533.7658	3709.3027	4827.2851	3017.9800	2500.8268	2795.2346	1935.4999	4571.9113	2738.1614	3651.7391	4864.4430	5646.0685	3708.6197	3967.9726	296.8299	3909.8240	1768.3683	3094.0199	3461.8657	2214.3135	5813.4916	6754.6938	5031.2853	2201.5039	2634.1217	5883.4073	6004.3608	4533.1199	8948.0589	6113.2615	3763.0260	5632.9833	8209.7168	6882.9288	4478.7167	6368.4805	4965.1083	7533.4858	4587.3893	10160.2015	8402.6151	12137.7779	4201.5537	3656.6448	17171.9791	6191.2659	8630.4486	8082.0062	6433.3539	8089.2660	6868.7445	7801.4378	8355.0796	7299.7829	7085.2646	11382.9702	6695.0984	11939.0713	7498.4710	4966.4572	8460.8616	10909.9424	10025.6089	4652.4906	6113.1608	4674.5914	6464.2950	3707.0944	3989.5677	7881.1779	5539.8201	7239.9269	9119.8933	5396.1783	7175.5830	6165.4179	9990.6647	6662.8847	5610.5776	14041.0190	7614.3521	5934.6190	4689.4517	5893.9220	10849.0442	8801.5060	8941.8424
Cer (d39:1)	1760.1008	1757.4867	1990.5940	1837.8660	1622.7891	3173.1404	948.6685	1437.8282	1375.4729	1962.8840	1232.6704	1904.5627	956.5944	1706.8281	1713.7521	999.7876	945.3500	2007.7642	1730.9142	1621.8243	1799.7823	1782.2001	915.6035	1617.2564	956.3942	1657.9912	1759.7415	1837.4951	942.6272	1663.7354	1582.1247	1162.2255	1392.2860	1478.2183	1110.1445	2730.7393	1389.4456	896.4425	1883.5331	1526.5258	1476.9444	978.0068	1063.4131	1018.0791	1834.8404	936.2444	1854.4098	1853.6080	1613.8312	1653.4167	1818.3221	262.5699	1600.5949	720.8399	955.6749	1912.4838	1079.2659	2137.2340	1978.8672	1958.1427	1215.6261	1030.6963	2089.3816	1864.1657	1594.0513	3047.6199	2389.9541	1284.4233	2065.3956	4190.0313	2057.7379	1166.7621	2903.2604	2425.9766	1984.6566	1865.6946	3550.4992	2271.5836	4731.9815	1609.0109	1455.6126	3696.7338	2549.4820	2496.9346	2796.2783	2252.8024	3523.3258	2374.5725	3386.2415	1383.1732	2505.2233	2310.7798	4127.5521	2049.5182	6575.2368	2887.5624	2062.7539	3149.0860	3771.6503	4464.7702	1235.0307	2277.1674	2393.3075	2876.3146	1305.6080	1480.2260	2565.1194	2104.6028	2100.1013	3104.1694	1496.8331	2279.4187	2335.9722	2906.4547	2925.5193	1782.4285	4216.1080	2283.1880	1694.8876	2208.4246	2167.5186	3315.5859	2087.9432	2456.9377
Cer (d40:1)	46601.6328	48150.9307	50063.7578	44302.7432	48621.0010	45556.5205	18780.9947	25738.9192	37279.5278	38544.9325	64591.2879	49569.8027	36811.9272	43739.2648	28212.8872	20033.9678	69500.1631	33719.8461	31127.2444	34294.5404	37979.0959	42546.0717	25751.5574	49005.0779	20657.0500	35558.2175	29605.1283	37728.9081	15677.8312	43825.4701	50059.9080	31422.3986	27003.9180	37469.7104	24960.6564	40234.5025	37424.2895	21493.4260	42798.7279	52300.7590	29727.6987	17182.5255	24321.6768	30800.2397	35509.7029	36385.2528	44203.6692	33393.2147	30585.5276	24217.5340	27151.0884	960.7010	25596.8134	13695.7760	33807.5428	26027.8775	41191.4347	53661.1941	58609.9471	75229.3308	16124.7235	48781.1509	54579.5908	59316.0018	64373.4252	45016.5282	36064.3590	35965.4825	40833.1610	134887.2532	72376.2383	56378.8854	61466.5654	30093.6030	39766.0092	117808.9879	60377.3691	56025.2496	80143.5058	34470.6497	43742.2161	97675.1756	91957.5246	72703.8327	67650.9940	47298.6372	59912.1973	42678.5463	63893.7937	41930.1915	49370.8728	43092.3491	72364.2837	39174.4669	65205.1641	51688.9204	43068.4161	61757.9608	66181.5577	77156.0141	24074.9291	44899.5053	45751.7389	66658.5507	32617.2136	30780.2440	42780.8452	37308.0343	34841.5223	56536.1471	41567.8239	39710.2421	39746.4547	49239.9104	40508.3096	71681.2394	68233.1498	59231.1353	52436.0575	31000.3555	83519.8905	65801.1329	61238.5467	75625.4156
Cer (d40:2)	14968.1123	15108.9336	16418.5332	15038.5264	16717.5723	13746.9062	5433.4137	5862.7891	4904.2026	10597.6518	6362.5614	6055.0568	3660.7876	6666.0499	9580.3908	7962.9392	5718.4567	9807.7450	9169.3801	6197.5709	9658.2669	9122.2725	8312.5198	8667.5290	6434.7706	5312.9780	7194.5454	6650.0127	5158.9009	7268.2099	6112.6784	6415.1595	9913.3403	14112.0737	4007.8371	10276.7800	7276.8507	2718.1504	9187.6206	8721.6336	4884.3099	2804.8436	5643.2807	2861.7497	10439.9185	4990.7968	4718.9832	8433.8158	5357.2209	5697.0098	6537.9820	147.5592	8298.4421	4364.1024	6119.3389	6431.5760	4457.9591	7971.6122	12265.3688	9253.5951	4588.6095	5245.8187	6924.8228	11583.0306	6691.2648	12199.0038	8718.0331	5472.4180	12027.9806	21639.9772	8087.6384	5684.8948	14146.4744	10257.7292	14518.0283	10924.8180	10218.4686	11646.5923	19148.4579	8182.6118	4069.3802	35784.3046	12752.8727	20787.3898	11804.1565	9756.6355	12380.9421	16500.8924	12797.7273	4734.8224	16347.5764	15038.9604	27496.0289	8095.3822	19552.4437	14158.5248	9648.1299	11626.7792	22911.7668	17052.8533	3615.4627	11316.3999	6831.4302	16537.8619	5766.8044	3917.6984	13009.1901	7681.1233	5136.1932	17897.5634	13908.7754	7596.6261	15621.8283	17327.5968	13249.7593	8908.8625	27836.9909	12018.9795	6580.7220	8040.4683	9352.9624	23991.4645	11417.8233	10569.4369
Cer (d41:1)	11671.8208	12192.1870	12241.3110	11346.3721	12778.4326	23633.6299	7765.7038	11934.6885	15426.9958	14970.9331	8055.7690	12525.7568	7187.0608	11405.5668	12503.5392	6712.9361	5169.2673	13315.2439	12190.3884	10629.0900	13307.8864	13293.1328	7975.1166	8919.5081	5012.4552	11438.8517	7503.6008	16272.9934	6505.6367	13716.3341	12354.0637	11659.5791	10489.4504	10572.0453	7502.2809	13533.7946	10593.8275	6584.8693	11694.7041	11341.5374	12134.6837	9154.2655	10349.3592	9010.7565	14865.1131	7165.6708	14365.4714	16032.5805	16136.5471	11664.2219	11099.9527	635.0919	9735.2030	4995.8307	7376.5749	9882.0934	6669.2607	23075.7376	16675.9295	13649.9192	7825.6025	7039.6023	21283.2430	17338.2140	11272.7791	21535.5920	18838.5268	16246.8521	16664.9657	26600.0986	17444.7850	14504.1368	19521.1634	16465.5280	13910.7236	11061.3059	24253.3196	19798.7523	33736.0774	12854.0650	13929.0182	36050.4520	22100.5056	19725.7674	20660.7893	15795.7393	25578.3567	21269.9915	21833.5590	15579.1611	20739.3172	16317.0820	22195.0857	14281.3363	34032.8633	15585.9773	19580.2825	20075.3075	19503.1318	35789.6921	14342.4848	22254.9522	25095.4044	26038.4972	8550.7334	11598.9119	23823.1123	21199.7443	17292.1730	24954.3219	11278.3565	16618.5061	19195.4172	16029.9652	18787.7273	13374.8891	23207.0346	18984.0240	12926.2875	16789.3965	15584.4564	20965.9332	20816.9362	17354.0609
FA (18:1)	22921.1465	23047.7188	27137.1582	22619.5254	26743.5996	10316.0137	5785.3869	7249.3477	3853.6042	11865.8553	7825.4218	8537.4689	5662.1094	5495.4823	1938.1384	6061.0739	15034.5265	5662.2082	13496.3228	8671.7048	8572.9202	10151.5198	8050.5114	13443.5450	6470.3468	16479.1301	10840.4362	14347.2628	7325.6967	6524.0024	26964.8681	1770.0602	6231.9964	18580.3537	22746.2823	19271.1102	16344.4176	8275.5189	9390.1173	12074.6742	8744.1440	3504.9110	15118.6720	10114.3132	14553.3481	21291.9743	10335.8313	19954.8995	5172.3926	4055.6187	5211.5982	271.0472	4316.5816	7167.7970	9645.5566	6332.0299	4310.5439	3768.3300	12713.4295	16477.4747	4862.0268	3582.4419	2605.2149	9942.6944	11018.6185	8041.2298	4948.3598	4239.4150	2962.5277	8863.5417	8390.8334	4769.6411	8437.9639	2492.7101	8726.1656	8909.8424	7441.4068	8288.3612	12962.8600	4997.4553	3114.5254	7880.2902	17461.7004	9525.6620	21380.3377	27887.7390	3517.1126	2995.4448	3780.6406	16569.5177	2298.2879	20361.8220	5167.9207	12248.5972	20009.9847	9381.5866	4045.0251	5891.7521	12651.4991	18046.3390	3085.9448	3526.3843	3184.7241	4953.0117	3871.5777	4902.3971	3577.1247	4325.9535	21043.4329	8948.3339	24498.1267	5776.6633	3403.9359	13048.8813	8051.5663	9109.7295	12722.1352	7486.6101	11389.4745	6338.8203	7032.4152	8532.1170	8242.1662	13314.0017
PC (32:0)	2634.3945	3072.8364	3199.5576	2911.6917	2934.5444	6239.3652	3332.1989	2474.1001	7509.8908	4171.0289	2712.0697	3651.0510	4961.0661	3672.7991	2116.9014	2062.8492	3976.7980	2474.1625	3898.6354	3210.1393	2603.1575	5554.0608	1197.1289	3919.0122	2472.2104	3052.7363	3652.7889	3150.5139	3539.0821	3133.2474	4503.3662	5887.2545	2918.5375	3589.8539	2258.0093	7385.1616	5818.1279	2890.9594	4122.5853	2915.8602	3105.3030	2965.9166	1968.1194	3177.4363	3689.4620	4026.1611	4369.2838	4668.1813	7155.5474	5715.0382	1637.2359	285.9375	1771.1514	2535.2201	1853.5804	2178.4490	5797.3777	5123.9585	6238.1440	6851.4149	1818.2726	6364.3381	4905.9836	5638.4405	4859.6712	5691.5600	6311.2079	5641.2550	2649.4178	6573.7853	7225.8970	8690.0449	4531.2084	2677.1800	5430.7483	7076.9425	7913.9263	16882.6919	6700.7677	3028.6347	5635.9334	5953.5485	9158.6466	4592.5107	5657.6011	4175.1201	4773.6242	4753.3707	6865.2415	9381.9896	4433.9256	4056.6008	7613.9056	5291.4292	9460.0654	6750.2002	3770.2433	17966.0993	6899.1417	4869.1509	10798.4087	4558.4788	3735.3799	5215.4790	3541.8183	15094.1086	4838.2500	6668.6995	16009.5026	3733.6601	2568.4772	6006.0507	4417.1842	6305.8512	2401.7358	4711.1542	7370.0782	4401.1464	4818.0741	6127.4473	4701.8529	5405.1311	4839.5048	7051.2657
PC (32:1)	3508.2771	3597.7578	4382.0166	3130.0017	3957.6277	4967.0166	2315.1983	3960.7804	3300.5763	2328.7743	4673.8120	2617.0685	3681.5361	2713.1899	3161.1562	1841.7378	6510.8673	3476.0850	2854.0365	2293.9525	2677.3925	4825.1452	2365.5604	5032.7577	1179.8849	2388.8192	3175.3602	4426.2695	3880.2530	4185.2450	6977.6509	2639.0032	2144.7544	2358.0454	3066.4774	5997.4810	4122.1397	3473.6417	3078.4063	2316.0636	3643.3507	3555.2307	2376.3630	5747.7205	2451.0591	3199.4256	4332.7708	4190.8713	6873.0871	5259.1767	2394.0370	204.0406	2601.1175	3369.1754	1441.9803	2518.3598	4843.8818	5747.9087	5249.8679	4062.6110	2874.6317	5046.3664	4840.5613	4398.5486	3165.5339	3693.4485	4533.3510	3792.7250	1848.5228	5882.0628	3986.7263	5402.2548	3586.6347	2668.9402	3061.3502	8899.4229	5906.1799	6902.1570	4650.4747	2299.5730	2699.2006	7569.9255	5393.4113	2691.3186	5523.8497	3729.5708	4855.9063	7436.8013	5580.2586	8501.7722	3497.0562	2652.7697	4843.1202	4946.7868	6897.1784	5257.1080	3731.0853	5827.5074	4061.6277	7139.7722	6176.6417	4106.6434	6306.3604	6304.2055	2413.3196	7378.0649	5034.6130	8368.1422	4061.6564	5534.7353	3466.0794	4530.3470	7085.8554	3221.2071	3994.4294	4106.2273	4060.0007	2814.6721	3520.2693	5124.6196	3098.4742	3175.9162	3090.8337	4149.8703
PC (34:1)	17433.3633	18671.0371	18566.3926	16186.0938	17613.6387	22075.1602	9658.2557	15060.5955	27243.9044	17041.1306	13426.2927	11426.0572	21963.9281	16080.7056	13466.3763	8366.6815	15187.5880	15830.7825	19495.2962	13574.5577	13693.7588	23343.6192	9675.8517	22291.2364	8096.6443	12503.4441	14664.8666	17830.2979	12771.6369	16260.4368	22367.6215	18588.3315	11384.9475	14474.4230	14227.0015	21730.6080	19151.1035	12660.8450	17126.8014	12903.2959	15946.2299	18404.2655	15133.8571	16780.8993	16129.0470	14121.9421	25807.3460	19098.8442	39453.1647	24172.2172	10057.4873	417.7686	12542.0983	10079.5386	8801.2517	10256.9170	19050.9474	20633.6748	25271.2523	20826.9270	9229.5278	20806.3680	19490.2455	22418.8852	15692.5896	18815.7647	25825.6542	24470.6814	11146.3126	21981.6068	24515.0673	39547.5502	22641.3231	10520.9536	18697.1167	27716.5732	25431.0144	40345.2596	27280.6751	11774.2275	23793.1751	43250.1287	45183.6751	20202.6648	25490.1007	18329.4987	20559.0179	24120.1041	21645.9104	36768.6191	22647.7914	14773.8697	25841.5873	23421.8413	31592.9045	27061.9600	15229.6759	47564.8522	20415.0625	33664.4328	37732.0437	24658.3619	21993.4896	23536.5629	11872.6717	39780.4812	19302.0878	44187.5394	28094.3437	18842.0208	15214.1780	18013.6784	23369.0586	17354.5853	14692.9247	15837.8263	26956.3825	16971.0598	17892.3739	24284.2656	16406.0190	20056.2938	18707.5587	24721.0894
PC (34:2)	13174.7207	14074.5137	15868.0391	12896.0225	14955.5918	24425.1367	9266.4733	11187.9794	32502.3268	15887.3609	11141.9224	10505.0818	26473.9142	13960.6302	14494.4250	8105.0962	12335.3759	10129.7458	15163.3812	11023.4847	17613.6932	20882.2545	7093.9249	12791.2564	6845.7876	14121.0807	12429.0245	17499.2751	9727.9768	11639.0723	19142.4120	18935.8575	15379.3353	12009.2297	11720.6683	12006.4643	19276.0213	13557.9093	17255.6298	12637.7006	16005.6144	17474.2780	17878.2471	13536.5246	15592.6158	12616.4227	18309.3522	17531.7350	36481.0285	22156.1912	9775.2417	321.3942	9000.3247	8025.4370	9121.0905	9789.7807	14459.1641	34161.2866	23269.5359	21140.3740	7537.6656	16029.2340	29377.3608	20490.8593	15732.0245	20277.2421	17096.7654	29219.9272	13479.4346	17559.9452	20069.2171	44027.3438	21370.7863	12205.7844	18542.6184	26121.0738	20308.2275	30311.4884	29513.2274	15997.4182	25055.8207	38045.2247	33858.9762	19694.3937	33328.0507	17584.7538	25499.3607	20825.8407	15508.8991	24818.0223	26102.3423	21662.9063	32535.3637	22182.5982	23277.1902	26231.2964	19234.9448	38278.0395	26776.0459	40821.9265	31063.3481	31462.7483	19477.0673	28420.8465	12835.1211	27500.4193	22956.9535	48847.9759	12350.2553	19387.7322	13849.1516	16109.7731	20700.4352	20768.3172	14454.4485	18049.8192	27715.4360	19319.6291	19548.0877	17942.2188	15812.7022	20358.8875	20645.6405	24264.4423
PC (36:1)	4134.9111	4012.7739	4411.6514	3835.3223	3921.4153	2935.3765	1234.1794	2529.9078	8572.2929	4237.9854	2232.2017	2345.8429	4208.9896	3089.7134	2542.3937	1367.4420	2137.0619	2559.3499	4410.1603	2674.7755	2673.4347	3280.2045	1966.7565	2735.0739	1331.3150	2283.1246	2624.2214	4573.4023	2332.9858	4324.0803	2871.2668	4603.1627	2084.5582	2251.0951	2495.6549	2127.9752	2280.2415	1650.1660	3341.6714	3092.7451	3165.3339	3328.6898	4223.2878	3779.1035	3783.7728	2190.5907	5277.2575	3534.5799	7834.0945	4574.5670	2292.8049	222.2285	1884.2966	2298.4202	1814.8399	2350.1990	2166.5469	5115.5299	4834.2009	2708.3603	2054.1566	2358.6728	4671.5827	4045.6561	2337.3752	2546.8740	4647.1605	5652.1594	2823.5214	3752.2847	4268.6257	6926.2940	3210.8066	1851.1712	3242.3121	3418.4587	4538.6839	7851.7337	5267.2494	2164.6681	4538.5940	11426.2373	5826.0244	3785.5431	5660.6473	3650.5338	4383.1565	4953.4384	4738.8049	5489.2004	4449.1087	3052.1549	3840.0263	4197.6513	4157.7102	3930.9408	2466.6234	8343.8471	3342.9407	6595.9136	7220.4975	6041.1612	5712.5342	3794.9806	2177.1789	7353.9023	3879.6304	8086.7701	4914.0142	3242.3843	3871.5445	3171.4015	5537.3767	2848.0222	2581.1383	2479.0975	4285.9551	2623.5709	2651.3927	4742.7139	2427.2520	3241.2872	2853.3000	3474.4447
PC (36:2)	8889.6318	8582.1191	9186.8799	7889.0142	8913.6348	8404.2910	3220.9782	5116.1872	22204.0487	8905.3256	4316.2131	4544.1402	11002.6094	5939.8996	7070.3373	3780.6740	4647.4182	4358.8849	8877.6303	5572.6870	7754.4003	7584.9686	3551.8231	4248.1806	3002.1949	6294.6701	4756.4563	8851.2554	5071.4069	7026.9479	7523.5106	11222.8339	6631.9800	5292.9429	5487.1497	4151.4054	5916.2872	4919.1011	7144.1957	7288.3036	6701.9406	8075.9792	10637.5623	6271.3535	8479.7957	5501.1122	8818.6912	8195.6590	15713.3908	10514.8196	5235.7769	288.9247	3474.8924	4086.8233	5058.4211	5420.3424	4959.5634	16489.8791	12069.2176	8488.0276	3653.8955	5314.0190	15037.1566	9708.0880	6975.8814	6704.2728	7824.1524	16178.1173	8607.3987	8017.8127	7811.1459	18860.9342	8502.7904	5869.9784	7675.9852	9356.0301	10109.9616	15531.2121	12302.0647	7780.3151	9850.0295	22349.3103	10311.4838	9348.2806	15336.6551	8447.6399	12566.9194	10048.2370	8615.9798	9346.1567	13638.8362	9818.0911	9943.4231	8975.9490	7224.7757	10820.8246	7147.3969	15467.7258	10383.9359	17673.7677	15228.5936	16797.5175	9487.2470	10223.7735	6628.4093	14030.0086	10036.3973	18681.2356	6246.1798	7774.1455	7490.6481	7187.4309	10144.0188	9021.5433	6452.7186	7662.8812	10421.4907	6655.7174	6918.9030	8140.2178	6253.8877	7846.4073	8408.8437	9126.6710
PC (36:3)	2659.4148	2736.2891	2855.8188	2627.8120	3030.1487	3499.4265	1645.4107	1997.7581	8655.8948	2193.6197	1795.8564	2423.2319	7999.0623	1916.3867	2313.9702	1311.4517	2338.0399	1640.1950	2688.8596	1849.1867	3412.8708	3968.8078	1279.5526	2440.5713	1383.1484	2292.4881	2256.0995	3635.3649	1618.4962	2616.5105	3771.8163	5316.2142	2562.3378	2117.1222	2744.2739	2848.2475	4395.6481	2688.6167	2410.3644	1976.5495	2371.0078	4801.9260	4863.9419	2894.6422	2259.1979	3152.0232	3340.6060	3504.6665	9840.2377	4176.1118	1570.8185	260.8387	1598.4570	1584.5684	1600.4589	1765.4224	3795.7946	7585.2747	5015.9622	4604.4484	1443.8086	3642.7945	5792.3628	3870.8109	3388.5857	3054.3827	3497.8664	8805.3321	1892.8519	2994.8216	3892.3300	12006.0790	2955.3948	2450.1406	2963.4957	4696.6611	5165.8896	7361.4380	3915.1479	3110.1756	4366.9484	5899.2759	5983.9981	2880.9984	4863.4126	2672.8542	4601.0975	3926.4931	4296.6934	4077.3347	5405.5594	3851.1722	4609.1017	4857.5671	4306.9631	6536.9402	3454.7153	6675.4448	4089.2539	5748.0883	9822.2950	7473.0565	3459.4482	4347.6786	2418.9995	6780.1875	4531.4704	13476.7552	2684.3975	3751.5950	2831.2673	3221.3793	4210.5205	3734.9692	3001.3377	3551.5005	4523.7009	2943.4336	3558.2682	3968.2751	2982.1974	3127.8628	3098.4184	4840.3657
PC (36:4) B	4913.0840	5037.6343	5461.3442	4623.2544	5267.9873	8027.6299	2853.4930	3567.5875	10573.2572	4328.1657	6699.8155	5087.5706	7696.9805	5977.1932	3910.7148	3335.7522	7305.8513	2206.7365	4527.4304	4292.7943	4345.7426	7185.1120	2457.1193	4194.6557	2256.6968	3020.7381	3284.0817	4783.6956	4645.6182	3577.0749	5910.2775	7324.8400	2962.1355	2628.0933	3022.9951	6027.5166	3485.0776	5653.2616	7566.0931	3236.0970	3822.2542	5418.0496	3677.7484	6500.1468	4166.1267	3854.4978	5787.8423	4784.7950	16225.3567	11165.9525	2333.7353	262.4438	1708.8940	4257.0072	1848.3895	2416.4758	8696.3162	7607.6115	8362.1071	5938.0969	2670.5681	9282.7177	6329.1775	7665.2650	4251.0341	6710.2730	6334.9139	7653.7325	2960.0487	11447.7731	11668.9473	11089.0097	8728.8068	3206.3719	5337.2966	9782.9883	6538.8472	13990.2139	10656.7791	4608.1484	10001.8960	10175.5229	6685.8637	5009.3046	6262.3138	4544.7210	5852.1754	7080.6150	6407.8190	7959.5685	7285.7295	2870.1163	7770.2329	5640.4698	9568.2969	6758.9111	6368.4067	22493.9852	5818.1769	9023.3157	13051.5467	5508.5098	5788.8745	5611.8854	5303.5978	12757.1734	4052.8368	15753.6402	8160.7141	3562.9892	5071.8199	5153.9597	6801.0164	4881.0551	2862.2523	6403.1011	11494.7227	4752.3177	7583.6198	7392.2515	5628.6987	8887.7967	5166.8995	9301.1296
PC (38:4)	2684.6907	2893.4568	3184.5276	3077.5703	3314.4883	3184.5552	1500.0333	1682.4603	6797.6458	2559.4995	2442.3364	2224.7250	3844.3979	2815.6176	1681.8593	1649.3432	2679.8223	977.1168	2831.1323	2389.8765	2473.2175	2683.1657	1223.6974	1466.2004	1252.0711	1937.2015	1781.3173	2487.1800	2234.5810	2663.2328	2795.5167	4957.6246	1483.5749	1966.7448	1509.0484	2726.2731	1744.5521	1835.0939	3109.6148	1414.8536	2239.2094	2441.1403	1958.4999	3108.4062	2384.9350	1809.8359	2434.9771	2903.7115	6930.9320	5209.5297	1195.1224	246.6880	850.4218	1982.0270	992.3156	1335.8696	2774.3846	3819.7647	4798.7526	3052.2100	1253.2699	3094.2953	3562.1864	3668.3564	2286.7745	2931.3479	3632.9297	3984.7191	1534.8652	4836.4315	4409.6695	5256.9294	3666.0021	1661.7489	2928.1990	3849.2703	3110.0405	8652.1346	5563.7645	2909.3067	4233.4164	5753.8608	3173.5499	2370.1122	3587.2527	2082.0256	3023.8764	3193.1068	4025.7193	3203.1188	4229.4732	1853.9224	3843.9871	2964.4115	4230.5696	2754.2220	2281.4467	11132.7295	2554.6112	3576.5527	6861.6475	3047.7039	2959.2476	2378.9096	2972.6506	7312.1267	2156.4631	6824.4612	4802.0426	1538.3342	3028.2093	2474.6459	3160.7866	2345.8387	1724.0992	2432.2261	4745.5693	1961.7808	3198.5470	3979.8171	2558.7025	3588.5368	2484.6472	3932.1178
PE (34:1)  B	1411.5216	1485.1278	1458.0911	1193.4294	1574.2534	2517.3062	1511.7196	1620.6534	2724.9339	1842.9915	1536.3186	1505.8960	2257.1533	1569.5497	2201.0273	1006.5442	2002.3485	2371.7694	1547.5288	1242.0525	1907.4574	3000.6035	817.8995	2725.5222	1109.7727	1339.0795	1934.6599	2074.3232	1662.9937	1250.0290	2524.0885	2261.2109	1539.3841	1185.9079	1535.2158	2036.1133	2772.6603	1597.2015	1730.5709	1133.4056	1554.9043	2424.7515	1421.7711	1530.3379	1619.7159	1071.4380	2278.9781	1864.5810	5083.1785	2492.8482	1185.5500	0.0000	1730.0591	1526.0881	836.4044	1155.1373	2829.6507	2575.7451	2829.0915	2154.6565	1038.3679	2732.6701	2187.3047	2660.3644	1732.6627	2424.5183	2202.2106	3300.3454	1504.1931	1505.2215	3338.1401	4146.4345	2153.9117	1386.9155	3087.9488	2782.1920	3594.5293	3132.0772	2487.9981	1788.7229	2146.9814	3383.0874	4743.1269	1502.8733	2664.8114	1406.0449	2079.4984	3347.7019	2720.6571	3210.9741	2727.4474	1331.8561	2632.1438	2751.1263	3999.4132	2992.6132	2795.3074	4723.2266	2184.9406	3055.3461	3512.7726	2578.5236	2241.7461	2804.2048	1106.9976	4033.2735	2598.7158	4739.3022	2003.9708	2720.1202	1343.1101	2589.6090	2990.3541	1837.3933	1885.3153	1917.3984	3655.1782	1737.5255	2617.8605	1959.2153	2052.6958	2731.9393	1897.5099	4142.6530
PE (36:2)  B	2194.9065	2607.5640	2746.7900	2752.7805	2466.5540	2045.8051	1268.0005	2395.2598	6192.1047	2910.9544	2034.9310	1857.9771	4821.4865	1675.4348	2575.6001	1563.0727	2177.3578	1833.3336	2665.2507	1927.1658	3312.1322	2986.4066	1106.8627	2191.3451	1087.6155	2101.1179	2081.7161	2737.4671	1619.3770	2185.8638	2886.7702	3185.3225	2967.9594	1938.8556	1471.5630	1443.9419	3074.7400	1673.5649	1984.8760	2319.0121	1884.1912	2488.2494	3023.4553	1840.8522	2943.1091	1772.2984	2385.2551	2523.0105	5281.8038	2440.0684	1718.7187	195.7416	1733.7664	1400.5640	1448.1773	1973.5493	2460.0114	4088.3636	3299.1918	2844.1887	1522.1455	2833.6266	3451.1369	3488.6181	2494.0376	2200.3118	1428.0996	5142.4234	2062.9214	1483.5684	2960.0191	5431.1319	1978.3427	1753.7738	2186.9925	2959.9695	3789.8365	2590.0859	4161.4137	2034.6730	2416.0951	4278.4438	4460.2010	2293.6616	3851.7022	1296.5489	2677.2050	2566.0003	2823.6919	1854.2968	3466.8851	3218.2376	2805.0526	2450.8538	2417.6481	3737.0541	1950.9024	4070.1845	3327.1245	4523.9492	3969.0125	4265.6515	2353.3096	3221.8472	2114.0977	4332.0869	2537.4170	8076.2452	1011.9669	3012.6102	2306.2350	2747.9339	2749.9405	2695.7583	2225.4695	1955.6081	3217.1701	1756.4092	1944.4448	1573.6100	2164.0778	2230.2211	1978.0161	2694.4973
PE (38:4)  B	6441.3057	6204.7593	6716.1240	6015.4399	7076.0669	4777.2993	2958.0524	4274.9973	9887.3886	4889.0040	5509.6779	4682.4423	5182.5006	4294.5369	4944.8572	3228.5565	5179.4593	2405.3010	4342.7522	4373.2775	4631.7058	5121.5908	3211.1197	4176.3052	2054.5304	3063.0505	4341.8991	5937.9409	4134.4046	4283.9894	5024.0426	6294.8605	3284.4218	3610.0737	3045.3596	4231.8988	3099.2339	2912.0054	4544.7103	4091.9025	3215.1282	5231.6576	4348.5493	4435.3992	4464.9234	3286.9785	3997.2528	4539.7011	13243.2087	6138.5656	3134.4424	209.6154	2222.2442	3234.2092	2625.6656	3115.6155	7045.2368	6090.9133	8774.6542	5190.4149	2800.3513	7678.9546	5630.4485	7744.9623	4126.6258	4290.4778	3110.6789	8328.1200	3548.3881	3593.4460	7682.5246	6545.7736	5699.6659	3090.1014	5809.0558	5875.6073	6902.7823	6777.6516	9916.0003	3924.6172	6080.0588	11601.6022	6976.9053	3636.6375	6227.3395	2689.1555	5511.6753	7076.3519	6720.9563	3198.8034	5245.2778	2657.7429	6996.0543	4598.4813	6608.1072	5456.4675	4168.9389	13075.1194	4757.2476	7985.8876	10005.0095	4567.0127	5291.4030	5138.2602	5409.0539	11155.8684	3426.4580	13788.1582	2758.9682	4549.3256	5309.8008	4616.7114	6578.2092	4653.6139	3183.5611	5060.5723	7364.0973	2725.9400	4252.9684	2873.6367	4817.5141	5426.9696	3242.2200	6734.9349
PI (38:4)	5923.1919	5994.0840	6764.5918	6090.2515	5990.7983	12477.2949	5830.0507	7698.3869	12057.2091	12633.7307	8727.2172	6548.1183	9477.6073	8805.6341	6979.3671	5755.5256	9757.4114	5610.8794	9591.2301	9511.4440	7186.6113	6805.4145	4962.8154	12389.2420	4294.1710	7673.7286	10076.8181	9391.5246	4813.5907	8469.4625	9804.4472	11110.3599	8669.9658	8677.2643	5896.6105	9528.4445	8177.4897	6398.8067	6671.1324	7586.4756	8164.4621	7277.2756	7572.3941	6953.4988	9880.6398	6260.9241	7796.5598	9425.9992	14124.8253	8487.3704	6219.0969	206.1268	4545.8532	4363.9465	5558.0795	6076.2102	10547.7431	9134.8467	14818.4065	10686.7417	5520.1268	12451.4697	8309.6908	15037.6368	8713.2513	11668.3037	10526.5874	6620.4562	9310.7260	16329.3822	12577.2612	15829.3031	11084.8144	6079.7948	9355.6583	13522.5074	11723.9176	18276.0793	14567.4990	4678.6294	9068.6376	22740.2154	21213.3545	9103.0909	13300.7274	8696.9778	11420.2095	8276.3008	8453.7210	14671.9246	10774.8782	9566.0471	14050.4647	7686.7760	12507.0796	10384.5773	7750.3866	12679.7105	9420.8750	17630.8243	12325.9773	12285.6564	10203.0601	12603.2952	8638.4517	12098.4563	8453.3383	20321.7708	11621.9446	7821.7660	5158.0934	7923.5608	9544.9208	7070.3909	5909.0130	6879.1260	11817.3003	8320.1174	7423.8321	9745.8662	6887.9295	10164.1688	9310.6149	11458.1803
plasmenyl-PC (34:2)	3668.4817	2842.7612	4614.2100	3597.5969	3953.7170	4263.6025	3121.2904	2813.5553	3528.1987	5527.5813	3239.6712	2183.9353	3815.2953	3271.4525	4570.0534	1517.6417	2498.0065	2105.9046	5893.6122	4423.3712	4397.6037	6821.6525	1628.7606	3702.0954	2262.3011	3601.5002	7517.4146	3552.5198	2588.9691	3973.5669	4043.5074	2461.7778	6636.6932	4438.1580	3857.5866	4556.7673	5362.4834	1793.9038	3170.8505	4550.6467	3402.4101	1420.6148	2826.3930	2563.1282	5692.3006	2818.4982	3940.3695	5714.4399	1771.2051	3396.1951	3240.8449	157.7261	1862.1260	2242.6819	3051.9110	3319.3564	3623.3580	4393.4015	7585.3975	6288.4993	2093.1858	4051.3887	4182.3953	5471.3932	4773.7737	3252.5928	1411.4888	1802.5404	2623.7900	3647.3014	3488.0059	5579.3099	3167.1909	1876.6343	2273.1111	3742.3998	2019.4476	3911.9572	6659.6486	1754.0928	4103.9712	6534.7441	4741.0868	3884.3470	4779.5382	4046.6727	3143.0543	3212.5548	2133.4745	3489.2929	3114.1654	4559.5675	6953.8607	2762.1255	4203.0725	4748.6355	1260.9022	4110.5268	4986.9286	6372.5990	1629.5282	3165.0320	1561.3069	5377.6775	2565.0778	1162.9190	5652.5500	2148.1694	1004.7241	3508.8435	4004.3334	1699.7571	3314.8893	4370.2654	2836.2696	2503.0639	4537.3018	2618.2161	2270.5667	1390.0088	2264.6703	3489.9951	2930.5745	2806.4263
plasmenyl-PC (36:4)	4509.5889	4053.4844	5701.7266	4135.7407	4913.0005	4502.3232	2896.8817	2300.1587	2106.2732	3713.8092	5931.3854	3626.3020	2995.5916	5568.9708	3556.1920	4500.4374	7919.8209	2110.2904	4902.3972	4446.4647	2988.2917	7809.6117	1918.2914	3785.8577	2749.6294	1644.5295	4711.7595	2556.7326	3125.3145	2715.8377	5271.7878	2043.8198	2950.7209	5538.8219	1831.1326	7354.0433	5289.2391	2395.4650	3363.0284	4297.3696	2309.3232	1223.8960	948.5827	3681.5387	3726.9741	4622.2913	3100.0510	3167.3400	2445.8137	3502.1914	1976.9074	204.2318	1898.4310	2469.7129	2705.7913	1769.6905	9749.2150	1687.2769	7182.4115	5753.7043	1772.0851	10120.4962	1488.0423	6001.3947	3925.7695	4449.9753	1617.9619	906.6794	1449.5014	5689.8804	3743.8351	2703.6087	3775.1038	1463.0609	2368.4264	6828.9803	2170.1284	4132.4701	3917.6352	1236.8272	2836.3330	3553.1803	1679.9170	2723.4872	1372.6430	2095.7874	1715.7369	2260.9524	1793.6497	3009.4653	1641.6567	1616.3974	4808.2437	1979.5472	4716.6633	3991.4411	1216.5468	5511.3338	3252.6903	3393.7496	2204.2418	1002.4966	1095.0825	2422.1104	3268.5971	2032.6601	1805.8290	1866.8688	2318.7947	2026.8885	4526.0459	1827.1017	2412.8526	2408.8194	1605.6158	2633.2736	6088.4360	1744.3689	2638.4275	1591.1454	2438.3164	4530.3736	2106.8041	3370.3781
plasmenyl-PE (34:1)	2978.5186	2495.2180	3136.9519	2613.4915	3096.6426	3876.2200	2489.5029	2900.9062	4672.8599	4455.6407	2839.5522	2612.5881	3949.3337	2635.2536	2933.7205	1640.5641	2868.3765	2825.3629	4097.7792	2509.6517	2802.7788	5636.3896	1821.7136	3765.6785	1727.8928	3320.4949	3687.0711	4731.3345	2952.1707	4246.6878	3216.4481	3877.1403	3184.3839	3269.6589	3689.7295	3371.0589	3921.0632	1597.1765	2358.0592	3190.0847	3103.1500	3255.7910	2914.8805	2946.1695	3579.2673	2339.3096	3980.8153	3971.6514	5038.1887	4482.6418	2955.3944	0.0000	2257.9790	2007.0526	2167.9651	2470.1469	2700.1067	4693.6970	5626.2115	4529.2911	1870.3177	3611.7809	4979.9119	4892.8929	3607.1462	3837.9223	2984.8786	3431.3488	2637.9627	2560.2789	4379.1806	7223.4336	2956.7385	1926.8950	3707.7789	3649.5876	4422.7507	5418.4123	4988.7782	2170.0886	4355.8225	7951.6299	8633.6528	3984.4150	5671.9107	2839.5443	3869.9007	3943.6774	3855.7129	4753.5204	3438.5870	3446.3037	4343.2617	5125.8203	6646.7475	4735.1943	1931.2985	9397.9695	4672.5404	5517.1795	6717.2227	3494.9972	3985.0616	4634.1774	1534.9710	4440.6242	4980.3901	5208.9888	11077.9993	4337.1025	2703.4705	2677.0598	3620.9262	4391.7783	3236.5669	2858.9951	4418.0787	4126.2823	2581.3836	3094.2725	2834.2138	3353.0502	4313.0597	3863.5571
plasmenyl-PE (34:2)	3019.1311	2654.8577	3386.1006	3192.4917	3907.2612	3034.4412	2895.4945	3147.5372	7354.4327	5584.6938	2144.2838	2048.8340	4414.3591	2421.4239	3999.2723	1083.2230	1266.8388	2143.0751	5849.4088	4302.3598	5241.9481	4308.8957	1843.0344	3179.7636	1388.1961	6912.0409	5251.2084	5821.3097	1720.2544	6049.6504	2388.8889	3668.9595	7349.8581	3060.1981	4410.3906	2720.9550	3395.3053	1650.6402	2466.3796	3295.9811	4272.1146	3741.2600	6361.6101	3012.1500	4228.6356	1627.4809	4312.0103	6170.7084	6519.6404	3912.8539	4973.8100	236.7604	1811.8265	1716.3894	2169.3278	4852.9351	1444.5243	9490.3715	5335.1551	4486.7974	1837.5821	1810.3664	8685.9388	4592.6796	3213.5706	2992.5331	1809.3856	5962.1235	4582.9591	1591.3844	3863.8750	8537.6930	3118.1005	2229.1597	3046.1680	2032.9391	2678.5010	3367.3767	9523.1042	3049.2840	5205.7479	9004.2753	12192.1244	3852.3588	13475.3483	3423.8668	7096.8519	4235.1626	3978.8793	2395.0734	5896.8441	7901.1663	5787.9514	4973.5418	3976.9359	4593.1495	1803.9340	5117.9111	6250.0372	9810.1366	4611.9013	6897.5586	4878.0641	7577.6403	1609.3301	2242.4038	8602.9790	9210.6408	1053.2102	6562.0838	3292.0799	1869.1597	3472.4963	4615.0582	4614.0073	2634.5552	3138.1401	2399.1933	1671.3726	1736.2661	2722.0057	2815.1839	2825.8112	2441.8015
plasmenyl-PE (36:1)	1548.9150	1420.3921	1981.0425	1667.0901	1545.5957	2209.4585	910.7777	2378.7201	4642.3450	2684.4354	1320.1704	1514.8277	3387.9528	1987.5281	1435.9097	779.9660	1203.4662	1558.2439	2757.6768	1864.0071	1498.5146	2864.5071	1263.9610	2061.4785	1442.6322	1196.7045	1947.6951	2260.0670	1377.2461	1615.2198	1867.8648	2890.4767	1523.9070	2121.6025	1980.8585	1829.1962	1975.9636	853.3073	1326.0678	1893.4959	2037.4272	3616.7353	2350.3781	1086.7533	2260.9268	916.3347	3169.2364	2101.4830	3436.7480	2464.3185	1421.9706	180.3338	1359.3958	1173.2496	1300.9277	1409.6748	1682.0805	4228.7803	2476.6854	1989.3107	1472.5559	1850.6117	3486.8349	2600.5948	1539.3844	2061.9467	3027.6980	3479.6425	1988.6449	1687.8525	3242.3581	5782.6513	2424.2915	1059.9960	2086.2639	1942.4711	3061.8696	2838.9328	3278.4648	1543.5129	3205.4906	5962.2807	6492.8101	3365.6202	3603.7523	1984.2175	2394.8923	2388.1141	2209.1304	2942.9545	3030.6561	2013.7989	2883.1274	3960.4258	3648.9544	2886.2548	1253.2377	5146.7660	2831.7188	3197.0446	4948.2615	2808.1262	2603.4698	2401.6129	944.1923	3087.4950	2801.1861	3478.2458	3690.8225	2718.4034	1382.7856	2192.1645	2493.4929	2394.6407	2232.2845	1775.6025	2841.9187	2132.4979	1507.0366	2954.0818	2191.0761	2072.9402	2052.3833	2058.8962
plasmenyl-PE (36:2)	2443.3916	1845.1545	2777.3843	2073.5940	2582.8784	2461.3904	1518.0106	3634.9703	15037.6858	4861.6559	1568.5238	1733.6555	7071.9637	1942.5035	3050.0045	1163.8146	1363.8344	1642.9308	5169.5295	3651.6237	4895.4456	4037.5366	1932.9703	3029.5206	1304.8574	3750.0005	3538.0969	4186.4685	1468.2445	3279.3518	1790.7186	5317.5391	4494.9159	2193.3624	4444.9868	1769.0623	2486.9285	1170.0699	1622.2621	2437.5474	2965.0822	6585.7537	6576.9874	1733.2075	4214.4780	1151.7388	4096.6091	4150.7769	8527.4480	3385.9939	3048.9422	171.2903	1677.1427	1400.6850	1909.3645	3259.3188	1829.1304	10022.1929	3649.0016	2297.4951	3042.7110	2075.6657	9280.8933	3760.2890	1950.7642	2190.5865	3231.6703	10633.2247	4437.4898	1574.0521	4145.6382	12319.3278	3737.8264	2699.6831	2564.5009	1803.2890	3258.1505	3355.7533	8903.3142	3205.6572	5966.9475	11170.8577	13162.3647	4568.5153	11098.7646	3627.0001	5705.3786	4944.7774	3861.1689	2301.5300	6292.2438	5351.1752	5016.5335	5716.5643	3415.1279	3748.5390	1677.7273	5696.1138	4246.8855	6469.3586	7889.9761	8821.9699	5231.9841	4746.1126	1245.8368	2844.3555	5419.2193	10565.2907	2889.4140	4242.7160	2276.9229	2393.0922	4275.6874	3968.7524	3248.4482	2952.7899	2646.0665	2163.1046	1578.3105	3479.1487	2675.7919	2205.0062	2285.4784	2181.2743
plasmenyl-PE (36:4)	12967.7266	11373.8125	15759.3525	12458.4961	13702.6963	14128.0137	8926.1815	7968.2479	12845.1831	11735.9849	13027.1440	9409.3315	10189.0373	12876.6233	11307.0818	10970.3269	15236.9562	8299.2999	14385.7120	9889.9959	10698.7430	18166.4941	5852.5288	11893.0645	6816.2880	8950.7657	10601.9377	12376.7137	9697.2245	11208.1335	14944.4345	12141.2556	10397.2035	14204.9545	6524.3903	16623.3372	12533.1778	7595.0780	8462.0473	10208.5861	7991.6865	7334.6653	5240.5382	10995.2506	12634.2341	12616.6314	10534.5978	11146.3517	13924.1010	13797.4143	7637.3576	221.2608	6214.5438	7931.1108	7160.5771	7101.1794	16356.5335	10421.9664	24961.5579	17747.4858	5839.1146	18959.8198	9214.1878	23133.6597	13268.9007	13936.0418	7732.2597	9143.9895	7909.4368	11510.2443	14282.0645	14109.0728	12820.0873	6325.4260	14270.5535	15783.4135	15728.4162	18313.8676	15971.2923	6852.1133	11075.2368	21642.7522	13950.6378	10159.5170	10587.0969	6425.2887	11281.0017	12883.0052	14196.0029	10421.7924	10396.9940	6564.0243	17407.6209	11009.5594	17809.2079	14375.7076	7505.2503	27888.5712	12983.5516	16532.9497	12921.5125	7865.6688	8594.7523	10523.1544	10682.0619	14052.3914	8881.9829	12558.2073	6552.0353	10695.9770	11583.9193	10274.8577	12180.4304	11227.5087	8395.4834	10201.7773	18988.0462	7696.4674	9314.7005	6802.5879	10995.0964	14487.9672	9610.7105	13329.4173
plasmenyl-PE (38:4)	9590.0312	9055.5820	10664.5850	9233.2949	9976.0186	11096.5527	5357.0375	9677.7233	18137.6935	10426.4402	8569.4731	8160.3388	14049.5327	11820.5181	7360.7208	7121.6544	7483.3372	5890.7905	12107.2684	10210.4307	8689.0302	13130.2087	6276.5005	8916.2231	5838.4682	5735.8915	7927.6476	9235.1159	6471.0946	6350.5435	9833.2580	13357.0480	6538.8378	10457.7262	5283.4243	9138.0729	8006.3935	5449.4780	7055.3898	7621.6885	6249.6693	8524.5033	5671.9563	6959.5234	10977.3051	7024.0041	10810.9821	7908.5956	17263.3106	11437.1595	4852.5534	876.0213	4378.4254	5550.4252	5388.3071	4857.2388	12891.4608	11212.0886	16929.1728	10761.0554	6463.2932	14538.0685	10782.4804	16196.8666	8147.5335	9796.3642	9214.3118	12061.6614	7243.0949	9198.4431	15990.0864	17131.3731	13747.4040	6245.7806	11156.4768	10465.5933	13311.5833	16379.6143	15297.0473	7432.2788	12191.4975	25582.2527	12177.7313	9201.5232	9391.6693	7261.3259	9602.8463	11887.8656	12923.7723	8501.6631	12149.0474	5582.3012	14517.6451	10590.2573	13651.9722	8358.8174	7011.7270	24837.8677	9416.7379	10981.6393	15140.9499	7095.7542	7848.5401	7747.0524	7346.6109	11424.0589	6834.6025	14795.6926	5984.4383	8598.5227	8542.4133	9101.2887	11760.1329	8135.8296	5991.4755	11175.1198	16371.4577	6685.2827	8015.9561	9759.1436	11552.2957	12746.4675	7700.6198	11812.2222
plasmenyl-PE (38:5)	6161.4434	5680.6221	7477.6113	5984.1621	7068.2856	5639.1660	3864.3853	3584.2884	6392.7055	3509.9514	5017.5398	4311.8214	5064.0352	4480.0332	3686.8327	3395.1456	7824.1316	3354.5060	4589.9960	2871.8573	4545.8064	9042.1829	2393.9272	5502.5066	2753.8785	2720.4133	3563.0779	4608.2886	4014.9623	4170.4773	5775.0778	5162.4642	3106.1721	4057.2958	2949.4865	6518.5744	6411.4629	3309.9381	2899.7635	3707.6342	3536.0688	3170.2589	2228.2016	4849.4705	3406.8404	4886.5417	4216.2285	5698.0902	7565.5855	6282.5783	2602.4903	253.8662	2674.7198	3927.1765	2995.3152	2535.4109	10446.4908	5118.9910	9304.3761	6606.3841	2575.5716	9931.7586	4762.6911	8865.7409	5358.3959	5438.3053	2894.7134	4068.2808	2326.3262	3624.3846	7648.2341	6489.1162	4641.6224	2838.8145	5008.6884	7275.0878	7031.4840	6293.4935	4756.7442	2876.9307	5093.1097	7704.3471	5483.0027	3676.9339	3692.3023	2624.6948	4768.1611	5563.7282	5869.5994	3766.3644	4950.1308	2458.7206	6456.8400	5109.8038	6778.7272	7194.6220	3045.7353	10634.7709	5636.2789	6309.2901	7175.7064	2778.3570	3379.8156	5416.5366	4421.6713	6829.1393	3956.7430	5861.0172	3100.5473	5010.4355	6486.6594	4400.5153	5625.1173	5367.9175	4317.2503	5710.5555	6332.3189	2780.1362	4717.3378	2833.2820	5823.3952	4908.3213	3280.2045	6308.2026
SM (d34:1)	12765.7295	14079.0244	14442.6084	11688.6191	13573.5107	16410.4629	11177.0074	10762.2203	36824.2082	14725.9557	11254.1100	10638.2523	23647.8894	12138.9706	9465.5025	6526.0147	13592.7734	8267.2894	15871.3007	13338.8718	11210.3373	22457.4890	5588.5479	12757.5022	6972.5267	9683.7536	10969.3581	15883.6163	9110.4965	18158.9447	17597.3927	14556.0212	11497.9417	10948.5856	11550.3592	20109.3498	15263.0897	8974.4644	13929.8052	12635.1533	12352.0787	12297.2917	9942.5446	15518.5849	13056.7568	11547.5482	20434.9742	18111.0922	25036.1070	18797.4851	6635.9111	243.0988	6586.1128	8848.0623	8732.4576	7088.6262	16400.9993	19749.4369	24075.9651	19140.9772	7281.6286	17785.2820	18726.5903	21241.7193	14669.3002	13559.7036	15867.2010	20532.9690	8299.1280	14520.9577	17295.6447	36156.3408	12567.3078	6403.6392	12387.1799	23130.5538	19094.5932	36913.0276	16976.0630	8928.6883	18156.2113	28817.7386	21303.9917	12775.2413	16934.0765	12035.5932	14574.7360	15294.8994	16571.8347	30301.1844	13740.0645	10613.7998	18202.1981	14450.6426	24858.5069	17853.3770	9911.8688	39850.3122	17327.6473	17730.9424	29556.4277	15829.8427	11679.1106	17947.3821	8242.5400	25126.3278	15572.7719	22036.5401	31123.8146	12389.1066	12181.0631	13690.2948	14960.8449	14599.0536	10143.2467	11914.0946	19218.5918	11818.1064	13133.9606	15671.5850	10926.7668	14937.6112	12987.6713	18504.9783
SM (d36:1)	2239.7510	1951.6757	2737.2649	2490.1096	2338.2991	2932.7275	1583.8462	1369.4633	3252.2004	2059.4571	1469.1943	1231.7361	2670.3713	1548.7392	1568.1982	1034.7403	1786.7211	1006.8949	2826.0858	2078.8154	1443.9523	2978.1748	1020.4686	1410.5397	956.0757	1126.5627	2285.2384	2376.4972	1013.0231	2473.6057	2012.0407	3272.8781	1801.8363	1820.5413	1348.8226	2437.9358	1526.5333	937.1700	1836.9246	2010.8502	1928.3897	1587.3423	1380.5533	1711.8069	2340.0222	1289.7781	2376.3077	2317.8635	2943.3810	3386.4925	1464.2177	172.0085	899.0955	1052.8191	1763.7210	1373.2104	2874.4428	2474.8971	2550.0313	2418.6687	1017.1645	2972.3118	2417.9810	2371.1247	1903.2092	2884.4367	2176.9341	2064.8344	1261.7324	1969.2616	2464.4076	3420.1134	1728.3008	962.5833	2075.0754	2105.3933	2719.1552	6040.3688	3379.2319	1236.0003	3348.6621	4041.7745	2962.8062	1617.4616	2110.3699	1917.7278	2564.5579	1858.7085	2020.5078	4318.4891	2023.8443	1874.3320	2418.5748	2078.0628	4111.7363	2271.8382	1281.3544	9074.7212	3061.5928	2715.0616	4514.2129	1951.8315	1801.9526	1582.2709	1405.6993	3425.0548	2295.1769	2776.7331	8357.8986	1670.4434	2101.7586	1881.2171	1905.1572	2524.7693	1462.4983	1456.9317	3628.0571	2093.7911	2318.8002	2198.8564	1372.3491	2686.2362	2015.9623	2673.7071
SM (d38:1)	2029.3392	1918.1753	2116.8242	1960.6929	2064.6682	2372.0813	1119.8450	1192.6822	2229.8013	1752.7186	1078.6272	1496.5056	1779.7160	1219.2660	1499.8327	913.5893	1367.6661	1030.2416	1708.4821	1460.7316	1662.4181	2056.5048	850.1158	1316.0931	906.1963	1431.2506	1861.6988	1457.8651	958.1524	1530.1899	2642.9366	2098.2873	1675.1542	1234.7103	1218.9596	2032.0655	1795.1486	1028.2343	1435.8542	1545.1045	1397.9551	1302.7957	1213.0932	1491.4917	1715.6370	870.7218	2438.3931	1943.9808	2537.7974	2647.1989	1301.3172	183.4135	962.2585	825.9375	1073.5485	1173.0793	2026.8557	2531.3017	2267.5860	2178.6019	814.1874	2346.2265	2127.2823	2152.5007	1876.4148	2112.6526	1477.4031	1738.1195	1278.9354	1898.4585	2448.0710	2382.0354	1449.8492	965.9102	1873.4888	2198.0005	2137.3299	4152.7990	2763.0699	1205.7803	2050.6385	4023.7838	2417.2109	1546.4764	2110.5572	2069.5345	1823.9601	1513.6580	2207.8527	3762.6197	1997.7572	1483.1453	2000.2946	2114.0808	3025.1826	1954.5927	1210.1847	4489.2247	2605.9767	2615.1566	2827.5564	2321.4381	1463.4505	1610.1862	1190.9145	2301.1909	2248.8395	2109.4664	3804.4257	2122.9492	2295.6212	1685.5475	1795.3052	2157.5548	1709.1688	1735.7539	3041.5573	1521.5257	1751.2953	1557.5670	1555.5309	2305.5543	1595.8247	2551.5747
SM (d40:1)	3249.6135	3600.2012	3751.6978	3110.1333	3447.6970	3224.2166	1657.3363	2761.8339	6954.1915	3276.8477	2608.3371	2393.9773	4764.1791	2574.1965	2685.5719	2097.6647	2340.7136	1979.7841	2932.4698	2656.3017	4099.2280	3896.7800	1566.3473	2103.5934	1395.0702	2969.7018	3164.2680	3009.8175	2021.4603	2570.8376	4642.5867	4252.6488	2446.2089	2469.9401	2134.9932	3013.9286	2449.9952	2078.7349	2824.2713	2349.9727	2788.7928	3089.1366	2905.4186	3116.0866	3216.9395	1721.0785	4811.8368	3566.7225	4213.0291	4082.7563	1976.3666	311.2882	1492.8100	1725.0175	1634.9417	2281.2230	3460.7398	4931.0536	5481.4172	3582.1599	1630.5657	4022.7247	4329.4444	5044.6263	3311.0506	2834.9501	2901.4210	4377.7926	2306.7706	3289.5176	3849.2618	5340.3633	3064.1432	1769.1187	4114.4618	3140.8653	3306.1365	6570.0577	4335.4528	2689.6031	2846.5965	8831.6414	3977.9002	3180.6465	3860.2221	2959.2637	3275.9645	3453.8022	3788.0757	7522.3403	3938.9751	2396.4673	3604.2643	3569.4449	4771.0463	2544.9444	2582.9771	6630.4311	3141.5712	4666.6019	4547.6808	4077.1562	2646.2070	3216.5937	1993.9990	4164.9839	3683.6035	4078.6702	6387.3409	3345.1723	3113.8929	2292.4979	3093.7092	2865.1838	2698.4237	3054.1958	5595.8727	3454.9414	2873.0740	2979.8701	2955.3791	4009.1199	3341.8192	4265.0350
SM (d42:1)	1412.4718	1376.5938	1560.6035	1451.0234	1403.1040	1848.5712	796.7859	1200.8539	4122.8305	1994.2813	1665.3341	1227.0721	2761.1123	1726.4036	1144.7966	822.7995	1967.2927	900.2936	1400.9418	1334.5896	1815.0575	1631.4489	911.9108	1134.6757	826.5015	1420.6290	1243.3014	1931.7976	1402.6113	1516.3063	2352.6227	2931.0900	980.1308	1286.4176	1386.1335	1493.3197	1335.1674	1418.1936	1920.1689	1219.6056	1776.7524	1630.9992	1359.3162	2151.6405	1726.0518	1111.0662	2697.7522	2301.3113	3335.1505	2864.9321	1147.1178	252.2714	839.3289	1038.4055	859.6123	1224.3915	2096.8013	2569.7146	3147.9472	2181.5973	1113.2800	2302.5006	2324.3063	2973.6460	1701.5940	1716.3431	2050.7252	2627.1003	1345.6101	1615.3632	2669.3480	3617.4108	1722.5437	1172.7945	2898.4929	1909.5545	1796.8117	4793.9356	1977.1114	1552.0632	2052.5209	3967.3180	2132.7296	1317.8117	1821.4204	1615.6743	2681.8408	1786.2393	2642.1547	4728.6102	1902.8567	1203.8622	2404.4721	1684.5543	3390.5208	1367.3057	2495.4767	5522.8711	1716.1900	2349.6766	3485.2125	2588.7134	1566.0015	2072.8245	1133.1475	2696.0176	2088.8423	2546.3837	5836.1019	1522.2382	1523.1658	1528.4065	2131.8329	1550.8949	940.1259	1589.6054	3446.8081	2187.9019	2655.2124	2102.8674	1507.8462	2886.3773	2329.6666	3632.6462
SM (d42:2)	2238.0618	2331.0398	2747.3357	2213.0923	2353.1316	4240.5693	2048.5933	2258.8189	6390.8132	2969.4021	2557.5092	1834.2971	4422.0351	2854.1640	1536.3713	1250.4335	3846.2039	1909.6136	2725.7789	2140.1253	1608.7890	4292.4486	969.6593	2334.1881	1526.5688	1706.2956	2122.3097	3073.3499	2171.8434	3019.8714	4169.8325	4580.9147	1723.5340	2359.3350	1898.4233	3650.3046	3274.5638	2150.0710	3292.0126	2896.2389	2768.6292	3139.3192	1658.8683	3042.3861	2533.1287	2745.9314	4397.2599	4963.0537	5403.1218	5440.0620	1763.9630	223.1570	1693.5247	1828.4037	2014.1287	1516.2867	3854.1671	4559.8430	4216.9287	4247.3042	1455.7060	4367.8315	4202.1716	3498.7255	3040.2264	3975.7618	4319.9549	4345.2107	1750.8938	3371.0551	4801.7996	6232.2322	2283.6184	1279.7161	4351.0793	5298.9173	5590.8073	10712.6747	3488.5973	1752.9677	5763.6751	4736.8599	6133.3099	2203.2207	2716.8029	2336.4317	3996.7400	2971.5218	4280.2223	9952.7722	3637.4946	1919.7461	4452.2268	3510.8151	6737.4854	4309.4568	2885.0882	12787.7999	4749.0527	3519.7712	9216.8538	3175.2827	2677.8662	4172.6128	2449.8898	7459.2317	4219.7778	4042.4553	14274.2362	2673.5018	2574.7976	3914.1722	3021.5015	4254.8282	2151.6167	2666.3225	6502.9760	3317.3616	5029.9882	4121.2002	2362.6440	5116.2334	3568.5576	6964.2106
CSH_negESI #108	10886	12019	12114	11195	12135	19349	3964	6531	9609	7971	10055	14650	7478	10053	6971	3325	8591	6067	6697	9714	9084	8332	3544	10489	3980	8399	5729	8508	2780	7361	9319	6374	7902	7170	5499	9991	8403	4528	10555	9797	7700	3573	5562	6831	7954	6313	12492	8422	4959	3996	7084	314	4538	2633	6306	7634	8621	13494	8381	16213	4255	9733	12790	8437	14191	9482	7608	8697	9664	27599	19817	10023	16467	7216	7356	20110	12064	10776	23727	9053	9403	12135	19399	15281	16295	10832	13890	6830	13794	5548	9526	15377	14064	9823	18377	11546	9797	12290	12356	24210	4373	10119	12019	15319	6542	7039	11211	7125	5205	16051	5577	7936	6648	9111	13599	20379	12481	8424	12010	7568	22950	10766	9692	17846
CSH_negESI #109	3577	3426	3936	3444	3759	6080	12699	21047	32611	30508	15764	21377	21600	23028	18776	14419	13883	22004	21323	17051	27205	24297	23497	17407	9867	22907	18773	25377	14934	26465	26477	29155	16972	23003	16435	19057	19479	14531	20593	20187	19127	21401	22493	16244	27040	15337	24421	23779	47265	25699	19529	1187	18075	12612	13185	17205	13458	43032	41513	28245	12742	16058	42656	40622	23166	36550	36912	36063	29283	42158	31986	40915	29473	22490	32495	22991	46812	42485	47898	27042	28290	85764	37450	35035	37077	34095	35897	43698	44738	38682	41955	25372	43481	28460	46447	24135	34912	38823	30839	47135	32962	43980	35246	39543	17430	26807	34361	42985	38097	37927	22998	30736	38903	24001	26303	29016	43452	44003	27891	32728	31680	42130	45725	38232
246.952m/z_0.479ri	1255	1439	1754	1624	2510	7131	2375	3599	3417	4601	1657	3224	2160	3100	3820	2322	1056	3583	3830	3056	3697	4020	2387	2386	1547	2947	2206	3920	1924	3282	3092	3239	2710	3110	2280	3568	2952	2096	3017	3221	2894	2461	2905	2056	3829	1925	3532	4462	3124	3121	3001	245	2748	1269	2018	2661	1448	6000	4787	3515	2356	1643	5629	4454	2681	5670	5359	4064	4581	6436	4683	2987	5380	4381	3828	2492	6679	4901	9160	3788	3486	9428	5632	5226	5627	3934	6570	3954	5553	4642	5366	4876	5678	4346	8927	4722	4221	5214	5349	9447	3317	5105	6003	5972	2191	3033	5983	3628	4531	6433	2912	4052	4169	3957	4677	3650	6368	4516	3210	4398	3733	5346	5613	4741
388.274m/z_0.648ri	108	148	159	195	185	4035	6736	7767	9537	11660	7128	7735	5154	8521	9106	6204	6346	12341	11282	7095	9566	11758	8941	8085	5185	7813	7448	9486	6971	9408	10346	9777	7996	10405	6378	9838	7997	4535	8845	12306	7106	6753	6950	5159	10718	6940	8528	10963	18326	10467	6688	402	8742	5704	7673	6585	5639	14217	16662	11092	5114	6760	14195	16030	9904	19082	14951	12431	12098	20729	13645	14038	12629	9221	14713	11730	22383	22222	18489	8690	14991	33337	19059	16033	13458	11835	15360	19608	18379	14608	14587	12675	21142	12315	20621	14321	12858	20665	20656	18525	15171	12745	11913	16519	10363	12005	15320	12658	17494	14859	10220	14556	17893	15323	11552	10523	22935	18213	12853	13518	11595	20456	19114	18558
649.125m/z_0.722ri	2088	1768	1760	1940	1853	6402	3592	314	11656	920	1301	5339	9134	8512	849	152	1655	1974	1077	4693	970	5783	196	1246	1798	2774	1613	8743	2706	3284	11289	30535	1141	2364	3015	263	5120	11919	10217	2459	11818	1866	5394	2409	557	5834	2674	264	10549	38095	566	189	1497	2540	2236	542	1158	34112	2325	8165	291	1289	25859	1184	5329	4442	1077	3396	558	2485	19705	6682	4073	2445	216	3016	8562	1426	6166	6790	15099	326	4969	3811	5732	2926	16385	5123	928	27281	17916	3871	10487	8444	495	6883	4463	34294	6005	8058	7843	19129	5750	11786	2370	11843	237	13217	44994	1162	1516	7564	4984	6719	832	4120	27581	1871	10674	673	2938	18116	1624	11852
476.102m/z_0.773ri	7533	6896	6226	10021	10313	1263	1183	1063	969	1097	1177	1128	1236	1037	999	965	1045	1030	1269	817	1139	1159	786	1119	779	1219	1102	902	911	1212	1187	979	1023	1018	845	942	1137	1224	1118	1155	948	920	905	993	841	756	1168	895	1094	853	870	926	712	999	923	1003	823	1204	1183	1040	1064	1132	1118	872	728	1909	933	9052	1418	24652	4197	5211	6100	900	824	6565	8573	6239	8258	1071	2700	14763	3104	12858	9017	8960	1108	3302	899	986	4022	3453	15862	2939	1069	3469	945	6801	5569	12029	14978	5289	2552	1070	5038	4298	1828	1393	16553	7349	1185	5615	3510	4493	5710	13859	1160	1572	2801	1027	13204	935	1776	3608
339.214m/z_2.614ri	933	988	932	1066	1026	2757	110	186	183	279	104	143	124	121	110	143	163	137	215	128	252	150	72	202	100	136	598	207	96	127	131	139	220	161	184	167	177	215	264	230	166	103	147	113	121	69	150	142	228	162	96	139	172	133	135	243	148	140	138	160	182	132	100	94	111	3734	15955	15050	479	4356	4077	3993	332	1978	6957	18809	2436	2816	4551	9909	3323	35239	244	1193	94058	1863	2038	22511	3618	2085	10343	853	48313	31592	28205	133992	34513	8509	622	16224	1062	4274	637	195	32590	191	34246	2621	38351	1459	188	2457	22916	473	1017	1037	23441	2953	1893	18316	690	16823	3013	2143
653.405m/z_2.632ri	1003	961	1007	964	1023	5506	1020	1960	2749	1170	916	2242	2799	1569	652	1047	660	5130	2751	260	856	1497	349	442	2003	2103	420	1111	1239	539	1218	2455	706	910	532	630	570	1045	13603	1437	1633	2162	1114	602	1041	1149	755	1212	2422	1402	627	120	3814	1597	1149	514	754	1497	1604	881	1682	706	1468	1501	704	6723	2985	3263	1112	2126	3954	2383	2553	1465	4112	672	3210	4361	760	2682	3264	1413	702	2182	2470	752	2482	1894	1931	2471	2737	2418	3875	2777	4310	2373	8348	2762	6239	1987	2790	1967	1036	2048	2005	822	2683	3769	2532	788	438	2212	2094	5119	794	987	5942	2799	2655	3389	1012	3769	2722	3147
473.303m/z_2.995ri	11599	29702	10868	9675	10872	17317	25502	28112	28274	39441	25741	43242	41954	34593	22106	27882	26547	38116	41793	28094	38734	44319	17151	46002	29938	37432	32197	35884	27978	29035	34442	36038	30636	25990	23613	23627	38025	22371	54934	34893	39424	38937	30692	31497	35578	26495	42689	37056	40355	30365	28289	4183	33251	27435	26359	33993	26597	45858	44127	36652	22894	27237	38572	35952	26065	45970	28145	22129	39054	22302	49612	35906	32052	26465	48118	36061	36695	43668	45939	51037	46542	31314	53331	31030	34225	31947	50721	32029	37545	38046	41369	45947	38014	43302	48741	50278	64203	39685	43695	39988	27359	38209	37791	45164	29738	34254	46446	49536	30272	42051	26928	27864	37439	41044	37851	32723	62853	44030	35615	33360	27864	43863	43028	44945
635.41m/z_3.728ri	6060	19278	7087	6934	7577	10869	21726	17046	14282	20099	9323	13025	20410	13173	7393	9642	11937	21801	16514	4951	17676	30228	5730	10086	4714	10555	27743	7768	7682	6067	21050	5652	4903	12387	14274	12394	7258	14537	12939	12478	10829	10711	95013	13348	8353	24401	7008	43093	13525	9490	39908	3007	18869	7284	8115	36039	16107	21411	21393	7435	12832	16976	20162	18612	5759	14451	7262	38270	29033	4368	8660	8611	5965	5155	10057	22663	18641	11793	10547	17132	14474	10612	4881	3964	5743	4401	4983	10725	3708	2450	4028	10422	31315	10036	21106	9379	6980	24717	21559	17949	13502	47892	8328	17625	7820	8174	16878	18290	10785	43257	10868	13458	10274	15782	31932	16545	15863	35123	20039	7324	15069	10902	34892	28515
985.605m/z_3.798ri	1311	1217	1392	1080	1503	5767	505	3782	2669	3800	4653	3846	9757	5467	4458	9782	5706	2515	7840	6825	19772	5881	3475	2205	860	5038	8032	1013	994	3543	4963	1325	1623	11247	4429	11244	10479	7553	3109	3522	4330	3023	3465	2921	2109	3180	4866	2838	5908	3841	5390	122	2207	858	2738	5507	7047	4145	3372	1269	2456	7906	3044	3555	1383	1273	595	1956	3228	5058	2018	2871	2316	4244	1348	5622	3381	4747	6187	1256	1484	4146	1910	2084	1338	3289	1113	1270	1074	900	999	2199	1607	2523	3078	3425	2443	2729	960	3381	1896	1249	4304	166	2369	6267	2206	3074	1757	6370	8186	1841	1183	949	4995	2929	1394	2686	340	700	2929	1239	2436	321
911.567m/z_3.901ri	379	368	367	359	337	10494	1013	1353	3524	1102	818	4970	917	810	921	763	2925	879	898	755	1161	3934	619	786	656	864	887	817	972	828	1229	872	861	748	4626	1035	1063	1093	923	4171	681	690	570	3975	1059	1995	5322	4446	639	842	606	616	623	491	1449	614	621	5540	2493	3579	682	852	6678	3951	5151	4022	1300	1681	1220	8509	6313	3276	1931	703	1958	9826	3129	2029	5711	739	1954	13662	2443	2972	1146	2000	1061	3161	917	704	691	890	2392	1731	2484	3578	760	4292	6750	8234	1190	855	1007	3274	1389	1726	4327	964	1401	2788	1078	1569	1893	4137	1954	4329	1902	1772	2827	1025	7235	2432	3463	4592
913.583m/z_3.916ri	11980	11573	10109	9572	10915	98502	4495	4333	5230	6187	4027	4225	2512	5849	4999	3059	5449	4512	6598	5301	6124	8275	4196	5408	2835	3605	3736	7390	4033	5301	5918	3303	3784	6545	5117	12164	5685	2562	6035	5662	5595	3106	4051	6321	5653	5423	4855	7361	10144	7584	3635	442	3518	3002	3516	3513	3916	6665	11125	6761	3250	4522	6988	11020	5685	8011	8895	5725	3442	7820	6596	5235	8696	4008	5033	8512	7524	11171	10722	4146	5828	14355	8276	6725	8239	6717	8798	7249	8999	6386	6206	4406	11856	8231	11385	8103	4176	11055	8897	10976	6366	6793	7417	7920	4122	7024	6746	7518	10317	6953	5255	5828	8626	6925	5483	6384	8598	6532	4564	8227	6424	7693	6882	6866
432.36m/z_3.998ri	359	581	380	652	398	7511	1388	1659	2537	2250	6494	4348	3757	3512	1541	1289	8160	1651	2297	3205	3077	4587	1350	4513	1735	2180	2687	3062	1027	2270	4574	1697	2258	2979	2231	3729	3561	1589	4163	4465	1858	895	1938	2620	2348	4619	2946	1999	1066	841	1660	142	1371	877	2787	1920	5258	3717	3496	6793	1004	5198	3497	3308	5321	2291	1468	2082	1829	10560	5694	5442	4392	1361	1498	12882	3072	2886	6307	1859	2771	3484	5375	4795	4681	2965	3734	1413	3200	1874	1942	2608	4410	2873	3053	3393	2155	3288	3533	4844	905	2357	3024	4488	2071	1578	1887	1816	967	3871	2174	2120	1628	2922	2390	7171	3494	2064	3512	1592	7838	2706	2407	4607
564.392m/z_4.061ri	2332	3277	2270	2403	2391	1746	1809	1815	2101	1831	1155	1342	968	1903	1697	1077	1245	1833	2181	1700	2040	3879	1121	1609	1406	1856	1390	1843	1365	1716	1829	1252	1998	2011	1551	4392	2279	1078	2129	1762	1578	1306	1462	1809	1835	1814	1862	2390	3145	2042	1375	407	1295	1030	1311	969	1248	2674	3849	2202	1157	1310	2537	3927	1698	3042	3000	2083	1345	2420	2042	1786	2605	1596	1906	2010	2826	3230	3677	1444	2326	4090	2566	2291	2683	1846	2138	2197	2745	1781	2216	2289	3862	2272	4358	3051	1756	4519	3534	3275	2301	2176	2006	2163	1451	2890	2485	2515	3139	2921	1370	2298	2299	2277	1795	1678	2988	1938	1727	2963	1941	2370	1840	2708
446.376m/z_4.304ri	24307	30052	25018	24829	27706	56329	895	5514	10764	5310	2441	5090	1961	6467	2023	567	1559	966	2693	3137	6737	3160	1181	5463	1030	2087	2835	1944	2273	1895	2553	2881	865	1709	5309	2230	3195	664	2584	965	4768	3197	5164	2322	5235	976	6581	1962	3201	2562	2211	194	853	1899	815	2639	1844	4882	3207	2721	4508	1753	4341	3285	2443	1150	2700	5822	2124	3789	4643	1715	8417	1505	1220	1748	1613	1698	3337	4014	2756	1577	7092	1964	4017	2053	2717	3743	3038	956	3367	769	4458	4422	1795	2547	787	4112	1541	6807	1652	6116	2338	1767	1235	2779	1534	2211	1416	3634	2741	1392	4409	1132	2744	4749	3933	2169	1807	2902	4748	2620	2044	2049
797.515m/z_4.514ri	3297	9100	3815	2980	2988	4529	12814	10913	11594	13316	10181	12411	5966	13631	11505	11108	10141	16471	19945	11680	13603	26771	13711	17594	11311	7196	10382	11454	11915	9778	11905	7342	14009	23482	9728	23792	14704	4533	17054	17828	8271	5985	7704	5895	13434	13759	9377	15637	12707	11167	6346	548	12522	9989	12660	7144	8717	11199	26932	16425	7578	10110	10556	24213	13397	18844	15171	11352	11004	25067	16354	13503	20437	8088	14737	24230	15383	20843	23342	9599	9825	47402	17312	22630	16183	10986	13672	23069	18108	9437	16408	17995	33334	15054	19352	24280	9544	22849	31142	20532	9395	14065	10631	21459	10171	9691	16426	12742	10325	19284	17442	10668	22224	23815	13253	14680	25514	13762	9279	14320	13865	20207	14701	12823
1117.697m/z_4.585ri	1863	1806	1813	1486	1638	12445	12301	14689	23569	15613	13547	19374	10698	17262	12208	10699	14625	15900	22708	14470	17994	27461	15898	14928	10463	13475	12114	16826	10133	14897	23237	14318	16722	22148	14169	21007	16513	8638	17102	20495	11863	13812	13183	13220	15133	18851	16660	19495	41988	17803	9976	1709	12032	7984	14038	8852	12856	27348	35932	20361	10054	14739	25530	33107	17859	25640	30495	27575	12411	31264	27389	30167	27075	10012	17912	27479	27767	43603	33110	14170	26349	55505	26708	26142	25105	19569	21637	23284	33213	33406	21322	21281	35366	24662	25548	27168	16937	39951	30634	30812	30194	23194	19723	24802	14612	29712	21913	22498	31587	22455	16763	18975	22958	25269	15842	22838	28737	24386	17300	28719	23786	22292	27943	24739
505.342m/z_4.875ri	1582	1957	1424	1067	1625	3318	5626	4427	3002	7740	18264	11391	3915	10350	5429	3436	20482	4900	11251	12942	6157	13476	4904	13854	6943	6049	12484	8662	1853	9811	9838	4187	7900	9035	6547	10008	7211	2987	9136	22463	7255	1885	4298	4162	7688	8806	7590	5078	2842	1936	8365	327	3830	1540	14956	7851	20911	10021	8101	24222	2650	22595	10019	7077	21212	11866	4342	3732	6633	40412	20968	10648	17774	3403	7465	34857	7627	10613	31008	4614	16805	14986	34354	20660	15855	18369	10318	4159	7509	4953	5586	13308	15388	8887	12713	11118	5041	15647	17377	17834	2533	6303	6750	10038	10063	5056	6114	4540	3192	11582	7698	5203	3795	14891	8107	23708	11961	8168	13202	4089	24388	10485	9370	20671
597.484m/z_5.085ri	4920	4287	4393	4625	4600	4398	3463	3247	1897	3182	2694	3500	1205	3418	2656	2536	2457	3942	4442	2785	3451	6109	4129	4346	3050	2108	2942	2934	3104	2433	2622	1756	3309	6095	2389	5649	3426	1371	3979	4368	2120	1376	1567	1213	3192	3070	2021	3319	2340	1967	2162	234	3607	2554	2794	1732	1935	1998	5580	4042	2152	2067	2097	4980	2821	3775	3177	1838	2654	5218	3572	2012	4364	2071	2914	5424	3791	3151	4583	2189	2061	7123	3063	4606	3037	2957	2858	4273	4331	1667	3036	4242	6550	3119	4159	5089	2345	3147	6749	3681	1604	2499	2759	3867	2693	1684	3380	2024	2617	4288	4088	2404	4406	4848	3101	3189	5157	3243	2049	3135	3232	3766	3224	2795
870.548m/z_5.102ri	1309	1470	1832	1421	1410	2340	4920	4906	4189	6881	4328	4963	2788	5037	4858	3826	4231	6347	10785	5687	5264	7425	6814	4321	3502	5379	5452	5779	3014	5323	5193	5260	5916	7665	4404	7820	4856	2006	5046	10414	4720	3559	3600	3090	6210	3777	4963	5693	10678	7140	5233	869	5269	2435	6768	5330	5640	7746	8573	6667	3047	6193	7161	7994	5791	14761	8587	5806	5855	12306	9874	7022	9913	4702	9279	8215	11945	14337	17683	4698	9969	24306	10587	10814	9726	8983	8912	7295	10189	10391	7508	7842	15656	7352	13720	10801	5971	17198	15003	13963	8266	6610	6367	5956	5744	6395	8870	7078	17136	8523	6836	7959	6950	11592	6051	6124	15896	11244	7685	7830	6618	12527	12210	10732
558.465m/z_5.323ri	1611	1762	1742	1350	1784	3404	2042	1943	1154	2930	4962	3641	1620	3239	2535	1433	5462	2333	4412	4000	2668	3696	2261	3441	2657	2372	4554	2900	976	3528	3612	1725	3231	3435	2094	3519	2400	1327	3333	6733	2540	1360	1362	1641	2935	2233	2516	1956	2411	1468	2757	211	1758	928	4525	2847	5450	2674	3420	6075	1240	6308	2380	2670	4684	4169	2328	1667	2295	9310	5392	2710	5531	1897	2998	8188	3688	3916	8633	1746	5226	6310	7052	6143	4649	3443	3347	1902	2817	2579	2132	4313	5093	2900	3512	4341	2101	5348	5176	6298	1757	2106	2837	3081	3052	2118	2677	2098	3285	3561	2699	2200	1899	4425	3081	5828	3978	3148	3741	2206	5276	3273	3295	4920
1171.744m/z_5.426ri	1973	1985	1188	1310	1349	83446	11509	10797	9401	20915	44720	57567	14583	20734	19119	8460	48979	13651	17011	28682	27815	33249	12840	27325	15722	21933	25131	20436	6516	26471	41180	11643	28047	15410	16613	26573	24646	8106	26421	44161	18547	6669	11987	10087	21073	23611	38565	20661	8297	6047	20978	367	10982	5192	28696	21235	51304	46238	25243	80108	7138	56086	44803	21949	67760	27968	13205	13149	25738	104227	92740	34918	43900	15290	24537	98740	30360	38115	84559	27060	36496	38553	68793	56211	57868	49200	40294	14383	42036	16426	18160	45956	34617	26472	48200	47177	18584	39953	50814	68229	7918	19856	19120	38869	26291	18389	26472	12953	9348	46069	26479	20769	13525	42566	33576	105800	46566	27725	60582	12732	117435	36352	28824	84871
1169.728m/z_5.431ri	194	240	161	225	283	8756	3768	3347	1503	5492	2713	4640	1212	2886	4401	3918	2382	7203	5776	3696	4161	5464	4515	3395	3949	2422	4783	3170	3541	3802	3642	2427	6086	5061	2463	5837	3975	1366	4268	6681	2506	1466	2105	1248	5252	2533	2775	4978	4280	3310	4253	591	5983	3257	4626	3997	3465	3963	6009	5202	2418	3403	3574	4885	4788	10577	5301	1841	6987	10587	6622	2486	7101	5434	9495	6521	8494	9144	13307	4101	2927	22050	5916	11091	6573	4458	6565	8749	7055	4034	7186	10460	14239	4881	12104	11667	3803	8139	19650	9503	3125	4364	2998	7615	4681	2659	8392	3785	4001	9566	8084	5958	8615	14548	8314	6087	18279	5759	5041	4615	5910	14271	6655	7469
1173.76m/z_5.449ri	74593	77936	61577	54474	62348	504769	932	1303	1191	1478	2714	3180	1160	1457	1713	998	2090	1225	1497	1658	1829	1843	952	1649	973	1931	1929	1675	834	2286	2630	1146	1996	1079	1162	1834	1793	1140	1928	2403	1545	887	1051	980	1433	1334	2610	1419	1121	707	1679	633	1219	782	1473	1664	2229	2488	1670	4251	824	2533	2708	1215	2739	2217	1309	1387	2076	5774	4663	2080	2832	1420	1493	4583	2367	2026	4624	1787	2069	2306	3637	2903	4012	2865	3059	2027	3380	1073	1333	3047	2131	1806	3243	3027	2215	2591	3473	5202	1011	1342	1882	2840	1869	1903	2295	1457	1082	3037	1477	1610	1530	2295	2466	4283	2100	1653	2670	1286	4977	2374	1719	4171
872.563m/z_5.6ri	1711	1702	2181	1604	1873	2266	2703	4197	3237	3298	2826	4147	3834	3924	3148	2987	3194	3458	3865	3111	3425	4291	2487	3754	2786	3767	3618	3608	3149	3395	4461	3563	3276	3634	3982	3326	3817	2315	3687	4334	3111	3535	2896	2614	3336	3384	3531	3356	2819	3048	2716	179	3259	2603	2709	2660	2554	4221	4506	3960	2973	2927	3453	3218	2768	3387	2909	3177	3251	3601	3941	3409	4129	2804	3259	3971	4187	3628	3802	2964	3097	3620	4376	3293	3495	3824	3877	3524	3093	2303	3241	4351	4198	3952	4187	3731	4206	3204	3905	4180	3709	3791	3808	4268	3002	3462	4157	3733	3416	4776	3952	3105	3963	3559	3192	3810	4288	3635	2854	3402	3713	3152	3385	4034
582.51m/z_5.675ri	16420	18347	19661	17170	18385	29039	1133	1366	955	2180	1028	2056	692	1222	1602	1235	1130	2227	1561	1532	1818	1896	1606	1093	1035	1389	1508	1867	1024	1594	2166	1536	1774	1590	1244	2051	1650	722	1513	1994	1158	1266	1203	845	1872	1168	1659	2164	2425	2065	1476	140	1769	922	1629	1711	1100	2644	2903	2445	965	1118	2491	2745	1679	3449	2443	1578	2430	3438	2993	1807	2760	1975	2975	2163	4761	3306	4542	1815	1712	7273	2893	3963	3396	2800	3302	3462	3052	3145	2733	2749	4755	2997	5054	3474	2224	3499	4794	4520	2417	2768	2022	2726	1716	1767	3209	2250	2894	3404	2449	3095	2821	3804	2776	2467	5996	3318	2526	2368	2470	4420	3549	3555
556.486m/z_5.699ri	2291	2148	2543	2350	2471	2877	12703	11099	8355	12166	6309	6979	12645	7837	4461	6507	7151	13822	9995	2736	11205	18874	4040	6299	2784	5634	17975	4319	5376	3155	11523	3340	2948	7121	7885	7296	4526	7944	6490	8209	6463	6749	57977	8941	4335	15070	3764	26762	8475	5642	24936	2162	10472	4251	5561	25448	10058	14744	13762	4515	8088	11655	14587	11774	3790	9730	4711	23989	18442	2398	5530	5026	3256	3428	6076	13574	11387	8131	5819	11423	8515	6600	2467	2002	3330	2845	3384	7054	2668	1404	2478	5753	17774	6113	13700	5497	5326	15096	13178	10010	8856	28487	5161	12446	4529	4988	9265	11253	6487	25483	6698	9107	6692	10632	21428	9406	9853	20653	13192	5137	9892	7523	22899	17660
611.537m/z_6.393ri	3201	2963	3720	3276	3022	5271	2440	2505	2980	2751	2185	3608	3115	2727	2774	2711	2614	3119	2737	2750	3421	3981	1764	3108	2274	3000	2423	2664	2186	2067	3704	3299	3604	3151	3677	2825	3959	1771	2675	3344	2058	2801	2875	1760	2979	3015	2440	2641	2233	1843	1970	227	2697	2070	2369	2126	2339	3932	3879	3890	1878	2303	3369	2856	2634	3077	2211	3014	2208	3528	3293	2960	3536	2351	2980	3672	4021	3441	3974	3075	2849	4417	3743	3085	3584	3636	3404	3362	2455	1662	3663	4268	4101	4282	3890	3289	3339	2845	4163	3560	2386	3758	2728	3474	2770	2344	3369	3298	3806	3852	3424	2923	3661	3646	2771	4025	5017	3586	2622	2244	3584	3021	3365	3973
637.509m/z_6.434ri	3284	3634	2998	3099	2978	3277	2816	2808	2214	4359	2467	3574	1315	2643	3226	2244	2500	4815	3459	3119	4242	4155	3051	2314	2205	3060	3811	3496	2037	3351	4419	3035	3683	3593	2779	3982	3285	1241	3306	4042	2753	2477	2509	1771	4104	2254	3346	3574	4705	3219	3240	283	3579	1515	3151	3353	2455	5308	5557	5244	1746	2461	5570	5422	3984	7599	5140	3207	5267	7710	5715	3272	5834	4727	6279	4888	8277	5879	10146	3608	3447	12577	5361	7447	6937	4802	6789	5406	5661	6143	5590	6017	9157	4584	9634	6650	4419	6373	9034	8853	3827	5510	3865	5715	3070	2962	6245	4217	5359	8211	4742	5470	5289	7079	5407	4813	10244	5595	4670	4617	5660	8889	6524	7072
744.554m/z_6.449ri	2096	2519	2713	2272	2955	2154	2692	4037	2578	3448	3650	3759	3682	4546	3264	3460	3586	3396	4851	2737	4083	4368	3276	3810	3034	4721	5044	3709	3808	3006	4503	3583	3931	4362	3540	3441	4278	3217	4152	4356	3363	4238	3154	3289	3548	2910	3761	3284	3353	3357	2902	285	3281	3671	3425	3412	3349	3658	4452	4130	3638	3554	2927	2995	2462	2837	2964	2610	3211	3027	3653	2769	2864	2998	3340	4219	4033	3228	3970	3511	3332	3215	3471	3169	3886	3318	3823	2831	2681	3516	3544	4584	4396	3989	3548	4142	3907	2940	3693	3971	3727	2990	3919	3060	3364	3753	3715	3676	3402	4516	4387	2864	3700	3237	4187	4032	3661	2948	2971	3967	2993	3065	3037	3945
663.521m/z_6.503ri	2841	2790	2842	2474	2718	3638	4565	4432	2945	7440	14706	17715	5038	8593	6925	3334	16501	6184	6755	9615	9358	10301	5457	9853	6149	7581	9649	7229	2570	8848	14205	4837	9671	6374	5075	9329	8706	3569	10183	15157	6506	3254	4165	4283	7008	6998	9953	6814	4192	2995	8165	212	4433	2321	9590	8381	16394	10485	8211	22130	2792	20214	10864	8251	18586	10518	5710	3889	8648	26185	25193	8742	13690	6837	8932	28715	10828	12723	22105	9129	11104	13593	19171	18411	17957	9270	12376	6170	12803	7181	7012	13848	12889	9071	14198	14422	7138	12991	16671	19341	3446	6553	7396	11440	8536	6793	9914	5140	4296	16694	9747	7073	5722	13629	12204	25094	12513	8237	15881	5720	27465	9928	9950	23406
639.521m/z_6.973ri	3356	3575	3726	3908	3831	3295	13299	21489	36433	32761	77487	81594	46584	43076	30658	17125	63915	24019	27165	42635	58240	40594	22798	47814	25632	35755	48797	40510	13421	42958	61758	34089	41348	34984	27394	35762	38657	22052	46261	50852	26980	14216	27303	23013	33102	32823	60120	28236	16699	11026	34711	649	18095	10547	32670	32466	64746	69126	46545	103418	13010	78074	76846	50779	89629	35190	25207	38070	50426	164338	114407	78001	73601	26177	40800	132248	48287	48348	105279	57532	46356	63891	96639	95796	87391	80135	69419	29960	71450	23167	49433	72472	72637	46217	64668	59280	50219	52584	60667	101132	14004	44420	39767	73125	36018	31415	40737	24865	13064	80309	33118	31061	27020	47261	55638	143719	64943	53552	76138	23277	163383	63118	57073	115844
629.492m/z_6.974ri	3422	3749	3100	3491	3812	3802	1020	1604	1335	1656	677	1010	872	1118	2039	876	454	1969	1700	1129	1772	1443	848	1138	755	1268	1005	1851	895	1395	1070	1114	1209	1275	973	2395	1601	836	1517	1173	1440	899	1110	1013	1802	678	1482	1703	1843	1509	1289	237	1581	782	816	1126	585	2082	1841	1500	848	687	1944	1543	1245	2943	2670	1410	2356	3257	1992	1083	2480	2265	1871	1220	3256	2471	4657	1459	1299	3695	2178	2286	2444	1974	3365	2756	2835	1369	2700	2098	3114	1827	6855	2780	2412	2680	3420	4043	1303	2531	2584	2891	1130	1420	2743	2952	2485	3118	1371	2108	2534	2408	2310	1436	3535	2082	1482	2394	1535	3648	1835	2168
683.527m/z_6.983ri	4420	4465	3587	3480	4123	5463	765	1280	2217	1620	2204	2687	2639	1716	1138	1383	1277	1365	1439	1404	1933	1158	1027	1363	868	1855	1548	1719	968	2089	2953	1939	1199	1576	1577	1179	1430	1567	1441	1770	1273	1300	2040	1698	1565	1379	2269	1518	1514	1154	1327	523	956	742	1174	1339	1376	3884	2441	3601	1021	1659	4069	2434	3148	1727	1422	2628	2299	5693	3387	5010	2506	1236	1645	2949	3631	1732	4300	2416	3075	2604	3394	3008	3551	3287	2617	1688	3145	1571	2220	2911	3008	3018	2574	1836	3350	2548	2255	2947	1436	3670	2398	3755	1513	1917	2405	1983	1784	3123	1298	2128	1724	2072	2129	4077	2565	3330	3896	1433	4449	2615	3110	5533
709.545m/z_7.037ri	2156	2157	1848	1689	1816	2111	21900	4206	5544	6661	3937	9026	22967	6624	5190	5168	3859	4912	20284	3055	5383	2885	2535	4606	3057	4048	3408	3123	1953	2409	2137	3522	3087	3880	10485	5789	2087	6382	8216	3172	9794	11202	28909	4958	2816	12108	3045	8441	9694	3966	12931	972	3427	1466	2439	12977	5245	7623	11105	2907	3057	6046	6755	8885	2054	5003	1648	18269	11131	2118	5481	9042	3346	3530	13186	26097	5402	13377	8111	4519	3817	4146	2104	1968	2776	2131	1860	2839	1790	1311	2101	5883	18756	3388	18761	6323	3874	30967	8004	19951	18440	84191	4253	5973	5544	5625	7519	15461	15384	16038	2761	4377	3834	7193	11986	6148	9177	23787	12770	1903	5683	6924	26672	17230
665.541m/z_7.051ri	3430	4174	3846	3642	4123	4204	1263	1144	1429	2539	1494	2801	3101	2439	1074	1317	1578	2319	3648	1051	2262	1875	821	2860	2390	2482	1243	2545	1883	1041	2332	1899	2146	1466	949	1248	1833	2008	4321	1297	2843	3382	2967	1711	2378	2059	3436	2535	3940	1714	1234	926	1998	1658	1259	1187	1435	2632	2850	2557	1097	1449	2177	2283	1543	3843	1468	1809	1456	1328	4557	2240	4009	1981	4314	2754	3219	3796	3054	4752	4272	3971	2487	4636	3405	1843	4532	2268	1891	2269	3636	4333	6417	3315	6096	8295	5355	4377	4258	1852	4257	2910	3245	2587	2980	1916	3765	4662	2787	1692	1581	2288	2639	4203	1552	1770	5945	2928	2661	1636	1251	3643	2911	3700
630.541m/z_7.078ri	2524	2612	2990	2754	2313	4290	5967	10726	21990	12801	27697	32210	18067	19567	12907	5952	19153	10057	9323	20110	16525	14518	5611	21455	7530	15528	13069	15727	5475	17985	19369	10981	15313	11860	9954	17471	16590	9057	21306	18425	13819	6343	10458	13674	13687	12528	25630	15020	9326	5187	13765	784	7272	4376	11850	12771	19796	27568	15412	36373	6516	21864	26297	15302	30073	15927	12578	18577	20635	65276	44191	27781	32468	12180	11762	45421	22555	19793	49713	18244	19097	15434	43828	31302	34694	21831	26553	13854	32430	6789	16117	29073	24870	15046	31769	23508	21236	22352	22729	53331	6646	18255	21478	33598	12395	14870	19551	13865	5651	33317	9426	13994	11666	17703	24633	45690	21513	16122	24915	10551	52706	20233	15535	35041
638.571m/z_7.081ri	5462	5495	5469	4946	5695	7749	2341	3158	2369	4722	2126	3043	2137	2970	4531	3727	1358	5191	4048	3059	4787	4392	4020	3738	2642	2652	3357	2779	2594	3318	2655	3491	4792	6222	2055	4293	2827	1329	4044	4459	2194	1969	2493	1056	4933	1741	2259	4413	2735	2788	3308	765	3605	2155	2537	2942	1643	3397	5568	3551	1942	1998	3368	5113	2937	5952	4279	2510	5785	9707	3549	2674	6405	5079	6988	4023	5569	6041	8799	3647	1815	18231	5459	10112	5714	5492	5086	8409	6034	2299	7630	7010	13956	3779	10080	6631	4650	5864	10852	8862	2332	5360	3025	7782	2842	1968	6049	3990	3489	9313	5787	3597	7388	9270	6298	3620	14346	5750	3086	3635	3808	12100	6015	3839
639.568m/z_7.102ri	11203	11317	11455	9876	11370	10540	1884	1667	3694	2123	1361	3343	3571	1704	1636	1918	2543	2217	2480	1667	3871	4385	1304	2531	1618	2408	1561	2020	1569	1609	2723	3500	2593	2255	3045	1933	3188	1017	1571	2512	1164	2936	3228	1110	2168	3117	2317	2383	2091	1457	1143	272	2232	1326	1753	1508	1866	4694	3117	3013	1178	2216	4364	2189	2370	2898	1972	3734	2116	2979	4038	4473	2637	1881	3299	3408	3703	3193	3316	3929	2595	3704	2928	2674	3133	5594	3888	2407	3089	1843	4413	5150	4115	3880	5581	4715	2954	2547	4890	2671	2932	4057	1960	3788	3032	1395	2615	3391	4715	2976	3033	2954	2324	4969	2113	3650	5911	3423	3798	1920	4481	3755	3974	5028
707.594m/z_7.153ri	8954	9111	10119	8039	9111	14376	2625	3058	3667	3239	2866	4361	4559	2829	3013	2925	3509	3769	3777	2370	4150	4962	3007	3659	2733	3529	3477	3173	2770	2565	4367	4304	2901	3493	3522	3650	4233	1943	2816	4180	2210	5094	3027	2171	2664	3659	3621	3738	3119	2292	2267	246	2986	2368	2692	1937	2236	4478	4276	3936	2357	2874	3648	3025	2802	2968	2737	3555	3073	3205	3723	4055	3713	2846	3929	5030	4961	4117	4577	3751	3858	3862	3731	3292	3944	5384	4874	3198	3640	3226	4173	4913	4889	4751	4503	4891	3742	3600	5652	3726	4324	3942	3472	3985	3435	2976	4026	4379	4528	4471	3760	3811	3498	4208	3364	3900	5539	3914	3860	3144	3514	3145	3784	4791
656.558m/z_7.173ri	6888	7951	7893	6769	7451	6578	8365	11085	6832	14342	5504	8805	3050	10004	15208	9231	2673	14509	13317	10204	10512	15616	7549	11185	6854	6772	7912	11152	7503	10999	7405	8463	12500	14842	4988	17997	11436	4403	14761	10852	9003	4718	6920	3955	14719	5098	6892	16341	9468	8331	9709	420	10902	5525	7216	9403	4619	11158	11925	11212	6794	5105	10116	11296	8433	21442	16455	7443	18175	32963	11404	6385	22173	19040	18514	9485	17327	18900	36154	9623	6615	41875	16383	25739	14909	10490	21281	26091	20422	6300	20395	20549	32735	10291	41096	22655	15183	18633	29309	34159	6467	15926	14688	30514	7112	5438	27307	15148	8850	28648	12958	10828	23880	23659	19841	10409	37280	13343	8181	14644	10846	32234	14768	11787
642.559m/z_7.427ri	1545	1628	1615	1397	1714	2988	11803	20771	39669	26881	73221	62145	44332	44338	21886	11438	56883	18560	18283	36601	36556	28907	20621	45025	17370	33578	37955	35052	12837	36129	46078	32978	25715	27700	20651	29264	32026	23399	41893	32127	26572	13889	21340	33684	27121	26685	49086	23030	16472	10007	27068	437	14942	11052	20278	26990	47392	50305	40079	77012	12602	57254	51757	42062	64498	28124	22852	31555	35436	137554	75240	58275	55827	20877	22332	106541	41275	39072	79138	36880	31392	38608	81912	62235	65633	57436	55843	27371	61108	11671	46480	42052	55654	31106	45328	34701	43002	42739	36357	71325	12815	35632	42742	68292	21412	26583	28047	22424	12145	56575	23426	26468	23815	27040	37698	102609	40077	37071	47882	19510	116306	41410	41449	70135
626.558m/z_7.45ri	1480	1626	1645	1425	1727	1813	6934	7249	10144	10224	31721	20593	14032	18459	6461	3735	34483	9028	9515	13950	8587	17484	5111	21671	7539	10994	11033	11961	4090	14896	20008	8285	8275	12436	7903	14246	16096	8152	17810	22595	10471	2983	4457	13325	9494	15556	18126	9804	4773	4262	8291	279	7348	3708	14164	7999	20304	16255	13927	32663	4690	24163	16042	13140	27612	10854	8114	8848	10370	52622	28233	17176	21877	5481	6763	56427	16636	16452	24270	8035	16887	10957	39067	21591	21168	13914	18889	7965	19049	7184	10007	11555	17776	9925	17458	19022	10951	20004	19876	21998	3561	6527	13778	20789	11686	10579	9756	5845	5204	14777	12878	12165	7334	15826	11971	31876	17317	11147	19411	7029	33173	15142	12085	27246
695.594m/z_7.509ri	4230	4985	5005	3844	4890	6955	30073	20769	11411	38490	19741	16022	6432	21989	18823	17568	14435	42382	40603	21393	13866	51003	19760	40556	20302	10250	20316	18269	18563	22528	18110	16348	21320	45879	11740	41197	31744	8976	32432	41914	17219	7244	8725	6750	35651	20072	13052	31279	22373	20949	16387	764	33376	14560	26794	16816	16581	20372	29464	27239	13626	17752	18537	28603	22975	56070	34335	14115	30327	85506	25895	16423	36140	21545	34871	36063	52501	55458	57554	12893	24006	73894	53438	50314	23014	23693	33092	43960	37148	16421	36220	31663	85104	24945	62995	62686	23174	53840	90570	43189	18394	17140	18755	55712	24311	15480	38985	20281	28909	36499	29611	36060	43216	70304	27760	23999	89791	27680	21678	31919	24559	75244	30221	30184
676.624m/z_7.763ri	13901	14639	14145	12825	14470	11394	21068	28457	24553	42110	20286	21251	12288	30438	34187	27207	18194	34275	33940	23110	28795	39879	37747	31075	18886	18448	29842	24943	27694	30542	26430	27514	32664	43341	17001	37735	29436	14832	32525	36919	22483	17572	20652	13141	42043	22315	23618	31225	52331	27565	23767	689	26340	22703	23560	23047	16756	36459	46780	31803	17827	19300	36516	46869	28083	53116	45406	28810	47371	75964	37214	39922	47519	34657	45197	38245	69011	69385	67251	26471	48097	133036	59398	61893	31299	38581	41696	76006	49557	33597	58341	42189	82614	32115	65494	45005	37419	64356	61370	62210	46232	39794	28636	62849	28215	34743	50897	35431	55612	58177	39539	48210	69049	48260	43720	28695	87432	43826	36286	39769	32432	77919	44230	53928
693.619m/z_7.763ri	16305	17932	16586	14720	16913	18012	1242	1831	2542	2040	2257	2572	1735	2826	1107	603	2067	1374	2099	2347	1962	3116	762	3247	745	2007	2142	2171	794	2357	1691	1321	1158	1458	1210	3098	2678	1925	3429	2251	2794	1279	1154	2118	2163	2876	4413	1524	1027	1252	1251	238	1046	773	1381	1381	1264	2267	1792	4017	1250	1388	2506	1599	2936	1928	2559	2538	2204	3702	4539	2014	2899	1033	1005	3128	3163	2988	4471	2419	4925	1065	7294	1591	4068	2454	4107	1673	3731	545	1691	1814	2337	2113	4424	3561	2554	4902	2068	4362	1190	1905	2309	2050	2289	2480	1531	1375	1455	2742	1180	1936	1559	1519	1889	2643	1388	1456	2318	2418	3273	1558	1747	3538
709.609m/z_7.805ri	12549	12982	13628	11924	12739	14288	2570	3764	5969	4330	2624	6334	4009	4198	3080	2634	2784	4868	2980	3745	2965	6442	2237	4559	1786	3338	2729	3185	2984	2537	4123	3805	2500	2996	4946	4291	2523	1089	3011	3568	2882	3304	3729	2346	4748	4599	4233	4842	2812	1914	2078	195	3892	2192	2047	1815	1626	8442	4238	5370	1843	2175	8020	4655	5261	5484	3308	6347	3082	6448	7307	6079	8373	2267	4441	5315	8362	5510	8401	3060	3463	10075	9440	4726	5901	10803	6331	6702	3510	1591	5904	5154	5394	6411	9439	3752	3123	4624	7992	6793	3707	8363	3833	6789	2882	3949	5684	4155	6266	4756	3352	4695	5807	5840	3274	5890	10499	5816	4874	2750	7379	9382	7555	7259
681.617m/z_8.094ri	6574	7333	7107	6129	7054	10801	9052	9748	12554	12676	28463	21264	13659	20358	9355	6415	33066	12903	14171	15666	9885	21824	9303	23280	9117	12997	11915	14026	7157	13939	22583	10489	9312	15173	9790	16546	18206	10369	19810	24254	12422	5750	5653	14622	11852	17467	17385	12322	13600	8961	8646	333	10496	6172	15560	9502	20070	16874	17114	30150	6639	23604	17259	16283	24101	16881	13776	11456	12696	42294	30737	17313	23365	9114	12329	48280	24546	24141	26656	9211	22702	29138	37780	22522	21198	15431	21352	17971	20601	11325	15210	14269	22694	14140	21623	22333	14175	24693	24790	23404	11495	10465	16198	21671	14839	14337	13847	9959	14769	17350	14138	17288	16750	19973	12810	28568	23314	14975	20395	12763	29462	18877	15830	28682
642.596m/z_8.35ri	1232	1340	1322	1305	1235	1798	2315	3419	1614	4198	1621	2538	977	3411	4904	2544	846	4198	4087	3111	3204	4736	2510	3316	1928	1933	2254	3280	2310	2890	2248	2420	4099	4494	1584	5280	3801	1496	3960	3419	2800	1286	2139	1349	3715	1466	1837	3888	2330	2726	3071	202	3270	1692	2257	2709	1385	3146	4322	3351	2314	1500	2771	3844	2643	6171	5122	2097	5285	8881	3602	1767	6468	5751	5038	2660	5589	4962	9868	2791	1837	10432	4886	7000	4068	3080	6252	5750	5816	2074	6166	5595	9170	3329	11589	6592	3891	4867	7950	8965	1909	4122	4209	8458	1970	1727	7463	2994	2097	8063	3840	2928	5374	6225	6721	2986	10026	3551	2419	4340	2924	8954	3969	3443
711.626m/z_8.384ri	7169	7298	7648	6824	7473	10311	6864	9982	14980	14784	23468	25125	14818	20672	11351	7199	22396	10858	10564	16606	18228	15164	10613	18447	8010	14917	16637	12940	7417	12822	21991	16461	13773	14830	10000	14668	15330	12401	19322	15535	12824	8387	10429	11578	14250	12720	17933	12166	13736	8569	11738	385	8629	5726	10431	12091	19446	23311	20801	30635	7148	22890	24593	19867	26079	15776	12578	15113	16059	47297	31313	19636	25638	10331	14720	39392	19788	20975	34395	16762	17348	28425	32424	27511	24875	24049	19249	15175	22044	13416	20999	20154	26001	14872	22855	17266	20700	21659	19161	32729	9808	17651	17010	23644	10284	11764	15072	13725	10429	24375	13100	13916	14538	15159	17305	39378	22659	17838	22739	12148	39967	19220	18829	31291
695.632m/z_8.407ri	14727	15977	14889	13738	14645	17573	8180	5544	3021	9813	5284	4360	1532	6765	5134	5203	4340	11157	10930	6150	3627	14294	5574	10439	5335	2902	5160	5173	4958	6114	4988	4640	6283	12166	3402	10508	8248	2307	8855	10757	4445	2298	2244	1972	8812	4906	2988	8148	5314	5866	4482	196	9544	4186	7270	4401	4487	4334	7717	7102	3832	4672	4210	7757	6202	14817	9521	3231	7947	20432	6218	3545	9426	5718	8801	10057	13291	13852	13426	3183	6006	16931	13085	12119	5728	5283	7755	10871	8532	4111	9347	7852	19899	6207	14295	16005	6750	12944	20838	11306	5631	4388	4970	12065	6118	4091	8937	5272	7180	9241	8124	8511	11431	16444	7780	6433	19883	6612	5564	8410	5863	15819	7375	8451
682.627m/z_8.524ri	1325	1281	1172	1257	1196	2285	1154	1364	3364	1562	1136	3086	2365	1119	1283	1164	1606	2076	1642	1371	1932	3437	965	1630	1013	1151	1094	1185	910	1269	1587	2154	1169	1262	2321	1981	1713	495	1063	1710	994	2265	1670	838	1570	2145	1990	2055	1368	839	700	270	1398	783	1123	693	865	4666	1986	2192	969	1194	5828	2040	1929	1974	1490	3855	1739	2667	3663	4606	2707	1195	2549	2749	3567	3208	3392	2321	2271	4472	2984	1970	2521	13446	3724	1850	2723	1007	2995	2592	2746	3346	6968	4057	1546	2118	5437	2359	2647	3497	1660	2990	1603	1152	3165	2298	5456	2316	1675	2713	1516	3546	1297	2786	6356	3059	3053	1265	3361	5069	3574	4405
544.45m/z_4.989ri	5167	6479	6811	5161	5880	8745	6566	8298	4524	11732	5102	6104	2978	9431	9492	7531	2946	9099	10218	6340	8335	10959	10157	8800	5841	4904	8632	6949	7956	6776	7288	7915	9514	12032	4886	9991	7899	4227	9071	10043	6363	5073	5445	3921	11545	5528	5680	8690	12667	7307	6532	263	7468	6192	6805	6417	4497	8083	12860	8163	4777	5664	8933	12447	7165	14399	12246	7801	13062	18806	9389	9074	13593	10220	12165	10261	17108	17014	17504	7463	12649	32552	15279	15099	8938	10269	9711	17837	12101	8843	15098	11786	21467	8366	16641	12310	10348	16062	16319	16658	12775	11171	7674	15444	7430	8295	12569	8313	13142	16088	11624	11612	17176	12701	11856	8367	22457	10944	8854	10336	7728	19837	12087	13406
570.466m/z_5.092ri	17896	18094	19763	17434	19484	21243	3996	5389	7863	7923	3750	5595	4478	5824	5327	4048	3316	6388	5682	4207	6743	6721	5827	4435	3125	6153	5031	5936	3959	5398	7108	7600	4309	6208	4346	4961	5432	3876	5067	5621	4978	5447	5757	4211	6934	3471	6082	6501	11282	6691	4887	413	5307	3526	3443	4389	3524	10475	11160	6715	3520	4329	10182	10406	6886	9618	8877	8786	7945	10468	8001	7989	8080	5607	9514	5927	12080	10518	11186	6407	6688	21207	9525	9159	8500	8600	8047	10809	9761	10840	10123	6805	10922	6946	11386	6601	8395	10397	8597	11079	7913	9589	8344	8424	4394	6192	8634	9852	9021	10296	6086	7730	10079	6542	7007	7018	11595	9583	7319	8107	6892	10250	11167	10852
600.512m/z_6.374ri	7348	8201	8404	7573	7847	16204	1433	2091	4032	2605	1815	1810	2916	1568	1682	1675	1976	2269	2404	2059	2037	3211	1093	2587	1223	1454	2221	2423	1852	1975	2949	3796	2138	2260	1414	2037	2893	1570	2095	2026	2076	2108	1731	1384	3041	1711	2770	2298	3938	3227	1790	174	1570	1548	1209	1620	2564	3784	3629	2336	1332	3087	4205	3282	2287	2068	2666	3597	1679	1752	3380	4796	1973	1311	2764	2406	3781	4637	3425	1679	3057	4303	5560	2117	3402	1449	2968	3226	3520	3183	3604	1798	3568	2531	3156	3645	1998	6544	2673	3402	5876	3223	2069	2892	1578	5035	2659	4394	2102	2577	2109	2917	2574	2277	2045	2264	3668	1576	1954	2556	1944	2711	2005	3041
584.517m/z_6.406ri	8493	9312	9643	8329	9118	13315	5503	4670	4404	6298	2656	3484	6390	3340	2285	3534	3035	5150	4923	1464	5114	8694	1755	2469	1525	2470	8582	2111	2622	1577	5986	1702	1850	2786	3708	3396	2061	3708	2991	4137	2993	2904	24438	4072	2027	6087	1726	11754	4215	2864	11503	1013	4756	2247	2656	11264	4388	6965	6157	2627	3040	5189	6347	6022	2179	4695	2296	10649	8836	1677	2364	2164	1568	1712	2918	7175	5691	4106	2685	5341	4359	2667	1308	1065	1760	1321	1593	3202	1231	717	1227	2786	8035	2799	6222	2565	2334	6556	6327	4065	3766	12466	2542	5646	2414	2433	4992	5640	3473	12347	2900	4466	3386	5075	9635	4687	4955	9723	5645	1981	4870	3946	10760	8250
626.529m/z_6.483ri	8248	8974	8907	7892	8950	12013	984	1069	2838	1653	1079	1037	2317	1411	1426	856	1188	991	1749	1074	1731	1823	732	1146	600	1538	1341	1808	987	1364	1858	1870	1575	1307	1190	1068	1792	1450	1762	1574	1662	2239	1779	1024	1495	1314	1700	1722	3017	2107	850	152	866	821	1039	1045	1134	3050	2175	2022	761	1450	2581	1972	1551	2195	1632	2814	1310	1647	1751	4142	2171	1259	1784	2655	2113	2672	2802	1524	2684	3544	2885	2047	3028	1838	2397	1786	1586	2268	2374	2247	3180	1842	2170	2439	1924	3218	2488	4142	2698	2890	2000	2559	1220	2364	2069	4292	1466	1782	1266	1359	2082	2019	1426	1515	2512	1747	2152	1865	1564	2354	1989	2546
612.549m/z_7.101ri	28270	35107	30562	27778	32032	30644	1207	1799	2611	1978	1421	1148	2644	1961	1555	1068	1531	1571	1983	1403	1465	2436	881	2097	879	1218	1438	1848	1169	1910	2048	2029	1190	1680	1275	2501	2049	1326	1541	1364	1851	2100	1667	1826	1696	1432	2733	1896	3995	2306	1285	195	1414	1484	895	1253	1889	2306	2499	2184	954	2252	1916	2276	1622	1942	2204	2170	1320	2197	2168	3561	2253	1238	1732	2893	2485	3836	2797	1182	2419	3788	3954	1863	2752	1792	2087	2248	2218	3278	2295	1485	2954	2278	2861	2352	1891	4413	1958	3465	3387	2234	2197	2377	1468	3578	1994	3945	2708	1970	1673	1864	2277	1937	1376	1851	2649	1555	1613	2346	1629	2158	2006	1967
680.575m/z_7.147ri	31710	33244	36173	29692	35296	64890	707	901	1322	4657	808	3709	3576	1866	826	654	1429	1666	3028	658	2360	1194	579	3682	2481	3195	509	3838	1151	509	1983	1828	2663	693	571	729	1464	1013	7155	971	3451	3453	3363	1588	3512	1981	4546	3056	3277	1071	769	401	1617	1257	731	818	1030	2673	3252	3544	451	1094	2015	2092	2144	7660	911	1296	1745	1767	6993	5121	5899	1758	6143	3686	2959	4183	5640	8901	11397	4692	3644	11151	7930	2107	6941	1857	2446	3047	7780	9553	11065	5248	8607	18922	7280	7552	5654	2902	5316	6067	3273	3357	3449	1498	4530	5789	2558	1163	407	2566	2609	5250	1227	1161	9132	3673	3345	1679	718	6357	3596	3629
668.575m/z_7.512ri	14642	15172	15339	13507	15114	23820	17204	16080	20946	43275	19035	43900	57047	36097	18419	21195	27228	39697	67809	19185	36085	25584	9493	47266	44586	42761	21879	56196	30762	15844	31606	34174	35385	18255	10249	15179	23930	25172	81981	21301	53490	53933	55935	30864	48036	32154	65394	50887	69517	27836	16792	10132	37040	32135	18643	20386	18340	42049	50429	44605	14192	17758	30849	36812	25443	79997	21827	28216	28614	27912	88625	47450	72943	29540	88109	51391	56214	74287	65229	89666	79736	59902	54032	74210	71485	35603	84619	40823	34971	24978	69581	90573	124597	66544	114023	163941	100833	92250	83865	43434	86319	65577	57627	45887	58222	33414	71855	97505	54307	26201	13168	46387	44476	75236	21570	24595	108379	53536	54006	29653	18532	79323	53649	66238
640.58m/z_7.782ri	38106	41662	39297	36365	39303	37032	1406	1293	1679	2863	1697	2732	3568	2546	1418	2000	1910	2676	4000	1450	2827	1760	1026	3434	2863	3028	1713	3143	2339	1366	2341	2161	2717	1579	869	1235	2182	1878	4895	1675	3818	3616	3324	2108	3075	2191	4284	3355	4926	2113	1374	960	2568	2101	1512	1562	1501	3081	3433	2928	1324	1483	2162	2380	1904	5659	1443	2003	1894	2330	5050	2775	4139	2206	5504	3124	4000	4844	4807	5103	4734	3621	3031	4319	4529	2835	4873	2511	2641	1779	4386	5368	6901	3832	6603	9132	5963	5552	4968	2664	4861	4418	3435	2847	3609	2787	4646	5618	3421	2092	1255	2883	2979	4528	1752	1766	6313	3498	3327	1845	1511	4258	3502	3830
682.591m/z_7.794ri	43398	47884	48066	42873	48531	56036	2545	2729	3555	6313	2643	5696	6845	5057	2709	3323	3633	5524	8838	2650	5123	3882	1365	6476	5729	5537	2809	6848	4474	2305	4111	4554	4893	2534	1246	2371	3205	3543	10451	3567	6724	6961	7297	4353	6880	4125	8183	7066	8348	3855	2849	2105	4840	4709	2540	2914	2291	5679	6670	5714	1967	2302	4233	4963	3581	10669	2846	4100	4398	3981	12029	6393	9465	4075	11501	7942	8017	10022	8293	11356	9516	6999	6937	9969	8621	4765	11073	5251	4627	3172	8133	13221	14617	8102	14112	23129	12588	12136	12198	5900	10830	8254	7305	6419	7703	4950	8613	12460	6789	3778	2401	5687	6205	9644	3165	3312	13956	6437	7182	4074	2366	9918	7004	9234
654.594m/z_8.105ri	10775	11838	10527	9902	11040	16072	573	386	953	6889	410	3872	3218	1056	398	423	1244	1220	2238	319	1857	944	480	3493	1372	2369	374	2035	746	446	1070	1240	2592	774	342	308	951	402	5765	638	1359	1146	2484	1387	3553	1064	3613	1893	1291	564	460	164	968	691	639	454	607	2234	3306	3110	360	741	2238	2557	1919	6329	789	1105	1505	1442	5631	6779	4421	1408	2423	6898	2691	2496	9137	6884	14595	3163	3513	14770	5396	1521	3273	1609	2493	2686	11285	10281	6645	4602	2774	15923	4315	7507	4322	3241	3022	6882	953	5734	1978	1229	2139	3520	1318	652	403	1747	1857	3590	736	708	7515	3606	1520	1258	632	4596	3604	2038
684.607m/z_8.387ri	24796	27055	26678	24529	27612	41244	6829	5533	14390	58234	6262	36503	41145	16586	6114	6393	13182	18138	31129	6569	20183	7939	2283	33010	20683	27186	5351	25138	11259	3470	10270	13454	27293	4673	2414	4206	6490	6351	55951	8142	21747	22733	33467	15433	31053	13100	43402	27977	27730	8015	5843	1663	16074	11219	6723	7431	5230	23900	35511	35708	5256	5419	17751	24190	22584	67645	10110	17808	21150	17989	60360	46376	53345	15295	49128	63148	31314	40709	68150	73947	83593	25273	39058	102324	50397	21848	48477	21268	23434	21513	73046	95083	84620	42030	58354	142747	61596	78996	49742	36223	48903	56205	19949	42018	26722	16935	33353	56091	20066	8601	2849	22541	26050	44030	8018	10024	80484	38097	26429	16244	7153	54869	39719	32278
668.611m/z_8.419ri	27057	32105	25016	24669	27147	27285	141727	133409	173471	310519	147410	314869	377815	261323	140219	167720	203447	303579	441862	147747	265004	181829	60047	308868	291336	290361	150395	325822	257792	111654	207595	226518	246331	123117	61187	118883	153707	172740	450077	156836	333244	346192	333812	213207	279006	208166	383463	326299	412479	210075	127695	76200	259924	236920	119959	143643	108476	288741	342364	272766	96843	113164	231672	256155	185746	430319	169300	236596	233201	217839	508720	302004	411252	218731	462566	386649	404164	429022	383303	477371	411473	290123	361814	382784	378648	246131	506934	286360	240511	123059	383292	529195	563414	391556	557669	630505	566702	431130	497075	281503	448352	355770	354721	282809	351517	241733	399240	547789	346596	189264	73282	292310	311697	437525	158546	173777	584593	331647	325756	196180	136085	423988	348985	435623
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	moverz_quant	ri	ri_type	pubchem_id	inchi_key	kegg_id	other_id	other_id_type
Cer (d34:1)	572.481	5.663	Fiehn					
Cer (d38:1)	628.544	7.079	Fiehn					
Cer (d39:1)	652.585	7.429	Fiehn					
Cer (d40:1)	666.599	7.757	Fiehn					
Cer (d40:2)	664.586	7.172	Fiehn					
Cer (d41:1)	680.618	8.072	Fiehn					
FA (18:1)	281.249	3.24	Fiehn					
PC (32:0)	778.56	5.529	Fiehn					
PC (32:1)	776.544	4.972	Fiehn					
PC (34:1)	804.575	5.6	Fiehn					
PC (34:2)	802.56	5.103	Fiehn					
PC (36:1)	832.607	6.274	Fiehn					
PC (36:2)	830.591	5.75	Fiehn					
PC (36:3)	828.575	5.183	Fiehn					
PC (36:4) B	826.56	5.005	Fiehn					
PC (38:4)	854.591	5.647	Fiehn					
PE (34:1)  B	716.523	5.772	Fiehn					
PE (36:2)  B	742.538	5.917	Fiehn					
PE (38:4)  B	766.539	5.814	Fiehn					
PI (38:4)	885.549	4.982	Fiehn					
plasmenyl-PC (34:2)	786.562	5.391	Fiehn					
plasmenyl-PC (36:4)	810.563	5.273	Fiehn					
plasmenyl-PE (34:1)	700.525	6.107	Fiehn					
plasmenyl-PE (34:2)	698.512	5.579	Fiehn					
plasmenyl-PE (36:1)	728.559	6.791	Fiehn					
plasmenyl-PE (36:2)	726.543	6.254	Fiehn					
plasmenyl-PE (36:4)	722.512	5.455	Fiehn					
plasmenyl-PE (38:4)	750.543	6.12	Fiehn					
plasmenyl-PE (38:5)	748.528	5.515	Fiehn					
SM (d34:1)	747.565	4.799	Fiehn					
SM (d36:1)	775.595	5.471	Fiehn					
SM (d38:1)	803.627	6.164	Fiehn					
SM (d40:1)	831.659	6.857	Fiehn					
SM (d42:1)	859.691	7.531	Fiehn					
SM (d42:2)	857.674	6.826	Fiehn					
CSH_negESI #108	683.594	7.75					
CSH_negESI #109	697.61	8.071					
246.952m/z_0.479ri	246.952	0.479					
388.274m/z_0.648ri	388.274	0.648					
649.125m/z_0.722ri	649.125	0.722					
476.102m/z_0.773ri	476.102	0.773					
339.214m/z_2.614ri	339.214	2.614					
653.405m/z_2.632ri	653.405	2.632					
473.303m/z_2.995ri	473.303	2.995					
635.41m/z_3.728ri	635.41	3.728					
985.605m/z_3.798ri	985.605	3.798					
911.567m/z_3.901ri	911.567	3.901					
913.583m/z_3.916ri	913.583	3.916					
432.36m/z_3.998ri	432.36	3.998					
564.392m/z_4.061ri	564.392	4.061					
446.376m/z_4.304ri	446.376	4.304					
797.515m/z_4.514ri	797.515	4.514					
1117.697m/z_4.585ri	1117.697	4.585					
505.342m/z_4.875ri	505.342	4.875					
597.484m/z_5.085ri	597.484	5.085					
870.548m/z_5.102ri	870.548	5.102					
558.465m/z_5.323ri	558.465	5.323					
1171.744m/z_5.426ri	1171.744	5.426					
1169.728m/z_5.431ri	1169.728	5.431					
1173.76m/z_5.449ri	1173.76	5.449					
872.563m/z_5.6ri	872.563	5.6					
582.51m/z_5.675ri	582.51	5.675					
556.486m/z_5.699ri	556.486	5.699					
611.537m/z_6.393ri	611.537	6.393					
637.509m/z_6.434ri	637.509	6.434					
744.554m/z_6.449ri	744.554	6.449					
663.521m/z_6.503ri	663.521	6.503					
639.521m/z_6.973ri	639.521	6.973					
629.492m/z_6.974ri	629.492	6.974					
683.527m/z_6.983ri	683.527	6.983					
709.545m/z_7.037ri	709.545	7.037					
665.541m/z_7.051ri	665.541	7.051					
630.541m/z_7.078ri	630.541	7.078					
638.571m/z_7.081ri	638.571	7.081					
639.568m/z_7.102ri	639.568	7.102					
707.594m/z_7.153ri	707.594	7.153					
656.558m/z_7.173ri	656.558	7.173					
642.559m/z_7.427ri	642.559	7.427					
626.558m/z_7.45ri	626.558	7.45					
695.594m/z_7.509ri	695.594	7.509					
676.624m/z_7.763ri	676.624	7.763					
693.619m/z_7.763ri	693.619	7.763					
709.609m/z_7.805ri	709.609	7.805					
681.617m/z_8.094ri	681.617	8.094					
642.596m/z_8.35ri	642.596	8.35					
711.626m/z_8.384ri	711.626	8.384					
695.632m/z_8.407ri	695.632	8.407					
682.627m/z_8.524ri	682.627	8.524					
544.45m/z_4.989ri	544.45	4.989					
570.466m/z_5.092ri	570.466	5.092					
600.512m/z_6.374ri	600.512	6.374					
584.517m/z_6.406ri	584.517	6.406					
626.529m/z_6.483ri	626.529	6.483					
612.549m/z_7.101ri	612.549	7.101					
680.575m/z_7.147ri	680.575	7.147					
668.575m/z_7.512ri	668.575	7.512					
640.58m/z_7.782ri	640.58	7.782					
682.591m/z_7.794ri	682.591	7.794					
654.594m/z_8.105ri	654.594	8.105					
684.607m/z_8.387ri	684.607	8.387					
668.611m/z_8.419ri	668.611	8.419					
METABOLITES_END
#END