#METABOLOMICS WORKBENCH lmishra_20240731_042133 DATATRACK_ID:5062 STUDY_ID:ST003378 ANALYSIS_ID:AN005530 PROJECT_ID:PR002095
VERSION             	1
CREATED_ON             	August 6, 2024, 12:21 pm
#PROJECT
PR:PROJECT_TITLE                 	Effects of Aldehydes on lipid metabolism in mice
PR:PROJECT_SUMMARY               	Obesity and fatty liver diseases-metabolic dysfunction-associated steatotic
PR:PROJECT_SUMMARY               	liver disease (MASLD and MASH) affect over a third of the global population and
PR:PROJECT_SUMMARY               	are exacerbated in individuals with reduced functional aldehyde dehydrogenase 2
PR:PROJECT_SUMMARY               	(ALDH2), observed in approximately 560 million people. Current treatment to
PR:PROJECT_SUMMARY               	prevent disease progression to cancer remains inadequate, requiring innovative
PR:PROJECT_SUMMARY               	approaches. We observe that Aldh2-/- and Aldh2-/-Sptbn1+/- mice develop
PR:PROJECT_SUMMARY               	phenotypes of human Metabolic Syndrome (MetS) and MASH with a striking
PR:PROJECT_SUMMARY               	accumulation of endogenous aldehydes such as 4-hydroxynonenal (4-HNE). While
PR:PROJECT_SUMMARY               	phospholipids are often modified by reactive aldehydes that accumulate in the
PR:PROJECT_SUMMARY               	absence of ALDH2, to understand the mechanisms for the differences in liver
PR:PROJECT_SUMMARY               	metabolism in ASKO mice, we analyzed liver metabolomics and lipidomics from mice
PR:PROJECT_SUMMARY               	models. Briefly, C57BL/6 mice (n=15) were from 3 groups (WT, Aldh2-/-(ko),
PR:PROJECT_SUMMARY               	Aldh2-/-Sptbn1+/-(double), n=5 per group) and fed normal chow diet for 10
PR:PROJECT_SUMMARY               	months. For quality control, 6 QC samples were also included in the analysis
PR:PROJECT_SUMMARY               	(total 21 samples). We observed that livers of Aldh2-/-Sptbn1+/- mice had
PR:PROJECT_SUMMARY               	substantially higher levels of all investigated phospholipids, including ≥
PR:PROJECT_SUMMARY               	2-fold increase in 26% of phosphatidylethanolamine (PE) lipid types and ≥
PR:PROJECT_SUMMARY               	2-fold increase in 32% of phosphatidylserine (PS) lipid types, compared to
PR:PROJECT_SUMMARY               	livers of WT mice. Similarly, increased abundances of TGs and diacylglycerides
PR:PROJECT_SUMMARY               	(DGs) lipid types were also observed in the livers of Aldh2-/-Sptbn1+/- mice.
PR:PROJECT_SUMMARY               	These results demonstrated that Aldehydes altered lipid metabolism which may be
PR:PROJECT_SUMMARY               	implicated in the progression of liver MetS, MASLD/MASH in Aldh2-/-Sptbn1+/-
PR:PROJECT_SUMMARY               	mice.
PR:INSTITUTE                     	Northwell health
PR:LAST_NAME                     	Mishra
PR:FIRST_NAME                    	Lopa
PR:ADDRESS                       	350 Community Drive, Manhasset, NY, 11030, USA
PR:EMAIL                         	lopamishra2@gmail.com
PR:PHONE                         	516-562-1307
#STUDY
ST:STUDY_TITLE                   	Effects of Aldehydes on lipid metabolism in mice
ST:STUDY_SUMMARY                 	Obesity and fatty liver diseases-metabolic dysfunction-associated steatotic
ST:STUDY_SUMMARY                 	liver disease (MASLD and MASH) affect over a third of the global population and
ST:STUDY_SUMMARY                 	are exacerbated in individuals with reduced functional aldehyde dehydrogenase 2
ST:STUDY_SUMMARY                 	(ALDH2), observed in approximately 560 million people. Current treatment to
ST:STUDY_SUMMARY                 	prevent disease progression to cancer remains inadequate, requiring innovative
ST:STUDY_SUMMARY                 	approaches. We observe that Aldh2-/- and Aldh2-/-Sptbn1+/- mice develop
ST:STUDY_SUMMARY                 	phenotypes of human Metabolic Syndrome (MetS) and MASH with a striking
ST:STUDY_SUMMARY                 	accumulation of endogenous aldehydes such as 4-hydroxynonenal (4-HNE). While
ST:STUDY_SUMMARY                 	phospholipids are often modified by reactive aldehydes that accumulate in the
ST:STUDY_SUMMARY                 	absence of ALDH2, to understand the mechanisms for the differences in liver
ST:STUDY_SUMMARY                 	metabolism in ASKO mice, we analyzed liver metabolomics and lipidomics from mice
ST:STUDY_SUMMARY                 	models. Briefly, C57BL/6 mice (n=15) were from 3 groups (WT, Aldh2-/-(ko),
ST:STUDY_SUMMARY                 	Aldh2-/-Sptbn1+/-(double), n=5 per group) and fed normal chow diet for 10
ST:STUDY_SUMMARY                 	months. For quality control, 6 QC samples were also included in the analysis
ST:STUDY_SUMMARY                 	(total 21 samples). We observed that livers of Aldh2-/-Sptbn1+/- mice had
ST:STUDY_SUMMARY                 	substantially higher levels of all investigated phospholipids, including ≥
ST:STUDY_SUMMARY                 	2-fold increase in 26% of phosphatidylethanolamine (PE) lipid types and ≥
ST:STUDY_SUMMARY                 	2-fold increase in 32% of phosphatidylserine (PS) lipid types, compared to
ST:STUDY_SUMMARY                 	livers of WT mice. Similarly, increased abundances of TGs and diacylglycerides
ST:STUDY_SUMMARY                 	(DGs) lipid types were also observed in the livers of Aldh2-/-Sptbn1+/- mice.
ST:STUDY_SUMMARY                 	These results demonstrated that Aldehydes altered lipid metabolism which may be
ST:STUDY_SUMMARY                 	implicated in the progression of liver MetS, MASLD/MASH in Aldh2-/-Sptbn1+/-
ST:STUDY_SUMMARY                 	mice.
ST:INSTITUTE                     	Feinstein Institutes for Medical Research
ST:LAST_NAME                     	Lopa
ST:FIRST_NAME                    	Mishra
ST:ADDRESS                       	350 Community Drive, Mahasset, NY, 11030
ST:EMAIL                         	lopamishra2@gmail.com
ST:PHONE                         	516-562-1307
#SUBJECT
SU:SUBJECT_TYPE                  	Mammal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Raw file names and additional sample data
SUBJECT_SAMPLE_FACTORS           	QC	S1	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_0501.CDF
SUBJECT_SAMPLE_FACTORS           	QC.1	S2	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_0601.CDF
SUBJECT_SAMPLE_FACTORS           	1_2_wt2_p1	S3	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_0701.CDF
SUBJECT_SAMPLE_FACTORS           	2_7_ko2_p1	S4	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_0801.CDF
SUBJECT_SAMPLE_FACTORS           	3_5_wt1_p1	S5	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_0901.CDF
SUBJECT_SAMPLE_FACTORS           	4_14_double4_p1	S6	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1001.CDF
SUBJECT_SAMPLE_FACTORS           	5_6_ko1_p1	S7	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1101.CDF
SUBJECT_SAMPLE_FACTORS           	QC.2	S8	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1201.CDF
SUBJECT_SAMPLE_FACTORS           	6_4_wt4_p1	S9	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1301.CDF
SUBJECT_SAMPLE_FACTORS           	7_12_double2_p1	S10	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1401.CDF
SUBJECT_SAMPLE_FACTORS           	8_8_ko3_p1	S11	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1501.CDF
SUBJECT_SAMPLE_FACTORS           	9_10_ko5_p1	S12	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1601.CDF
SUBJECT_SAMPLE_FACTORS           	10_9_ko4_p1	S13	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1701.CDF
SUBJECT_SAMPLE_FACTORS           	QC.3	S14	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1801.CDF
SUBJECT_SAMPLE_FACTORS           	11_1_wt1_p1	S15	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_1901.CDF
SUBJECT_SAMPLE_FACTORS           	12_11_double1_p1	S16	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2001.CDF
SUBJECT_SAMPLE_FACTORS           	13_13_double3_p1	S17	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2101.CDF
SUBJECT_SAMPLE_FACTORS           	14_15_double5_p1	S18	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2201.CDF
SUBJECT_SAMPLE_FACTORS           	15_3_wt3_p1	S19	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2301.CDF
SUBJECT_SAMPLE_FACTORS           	QC.4	S20	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2401.CDF
SUBJECT_SAMPLE_FACTORS           	QC.5	S21	Genotype:- | Sample source:-	protocol=Lipidomics_NEG; tof_mode=11_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190503_rao_liver_lipidomics_NEG_2501.CDF
SUBJECT_SAMPLE_FACTORS           	QC	S22	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_0501.CDF
SUBJECT_SAMPLE_FACTORS           	QC.1	S23	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_0601.CDF
SUBJECT_SAMPLE_FACTORS           	1_2_wt2_p1	S24	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_0701.CDF
SUBJECT_SAMPLE_FACTORS           	2_7_ko2_p1	S25	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_0801.CDF
SUBJECT_SAMPLE_FACTORS           	3_5_wt1_p1	S26	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_0901.CDF
SUBJECT_SAMPLE_FACTORS           	4_14_double4_p1	S27	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1001.CDF
SUBJECT_SAMPLE_FACTORS           	5_6_ko1_p1	S28	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1101.CDF
SUBJECT_SAMPLE_FACTORS           	QC.2	S29	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1201.CDF
SUBJECT_SAMPLE_FACTORS           	6_4_wt4_p1	S30	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1301.CDF
SUBJECT_SAMPLE_FACTORS           	7_12_double2_p1	S31	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1401.CDF
SUBJECT_SAMPLE_FACTORS           	8_8_ko3_p1	S32	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1501.CDF
SUBJECT_SAMPLE_FACTORS           	9_10_ko5_p1	S33	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1601.CDF
SUBJECT_SAMPLE_FACTORS           	10_9_ko4_p1	S34	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1701.CDF
SUBJECT_SAMPLE_FACTORS           	QC.3	S35	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1801.CDF
SUBJECT_SAMPLE_FACTORS           	11_1_wt1_p1	S36	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_1901.CDF
SUBJECT_SAMPLE_FACTORS           	12_11_double1_p1	S37	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2001.CDF
SUBJECT_SAMPLE_FACTORS           	13_13_double3_p1	S38	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2101.CDF
SUBJECT_SAMPLE_FACTORS           	14_15_double5_p1	S39	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2201.CDF
SUBJECT_SAMPLE_FACTORS           	15_3_wt3_p1	S40	Genotype:Wild-type | Sample source:Liver	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2301.CDF
SUBJECT_SAMPLE_FACTORS           	QC.4	S41	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2401.CDF
SUBJECT_SAMPLE_FACTORS           	QC.5	S42	Genotype:- | Sample source:-	protocol=Lipidomics_POS; tof_mode=11_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190502_rao_liver_lipidomics_POS_2501.CDF
SUBJECT_SAMPLE_FACTORS           	QC	S43	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_0501.CDF
SUBJECT_SAMPLE_FACTORS           	QC.1	S44	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_0601.CDF
SUBJECT_SAMPLE_FACTORS           	1_2_wt2_p1	S45	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_0701.CDF
SUBJECT_SAMPLE_FACTORS           	2_7_ko2_p1	S46	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_0801.CDF
SUBJECT_SAMPLE_FACTORS           	3_5_wt1_p1	S47	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_0901.CDF
SUBJECT_SAMPLE_FACTORS           	4_14_double4_p1	S48	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1001.CDF
SUBJECT_SAMPLE_FACTORS           	5_6_ko1_p1	S49	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1101.CDF
SUBJECT_SAMPLE_FACTORS           	QC.2	S50	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1201.CDF
SUBJECT_SAMPLE_FACTORS           	6_4_wt4_p1	S51	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1301.CDF
SUBJECT_SAMPLE_FACTORS           	7_12_double2_p1	S52	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1401.CDF
SUBJECT_SAMPLE_FACTORS           	8_8_ko3_p1	S53	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1501.CDF
SUBJECT_SAMPLE_FACTORS           	9_10_ko5_p1	S54	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1601.CDF
SUBJECT_SAMPLE_FACTORS           	10_9_ko4_p1	S55	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1701.CDF
SUBJECT_SAMPLE_FACTORS           	QC.3	S56	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1801.CDF
SUBJECT_SAMPLE_FACTORS           	11_1_wt1_p1	S57	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_1901.CDF
SUBJECT_SAMPLE_FACTORS           	12_11_double1_p1	S58	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2001.CDF
SUBJECT_SAMPLE_FACTORS           	13_13_double3_p1	S59	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2101.CDF
SUBJECT_SAMPLE_FACTORS           	14_15_double5_p1	S60	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2201.CDF
SUBJECT_SAMPLE_FACTORS           	15_3_wt3_p1	S61	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2301.CDF
SUBJECT_SAMPLE_FACTORS           	QC.4	S62	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2401.CDF
SUBJECT_SAMPLE_FACTORS           	QC.5	S63	Genotype:- | Sample source:-	protocol=Metabolomics_NEG; tof_mode=13_TOFMS_NEG; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_NEG_2501.CDF
SUBJECT_SAMPLE_FACTORS           	QC	S64	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_0501.CDF
SUBJECT_SAMPLE_FACTORS           	QC.1	S65	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_0601.CDF
SUBJECT_SAMPLE_FACTORS           	1_2_wt2_p1	S66	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_0701.CDF
SUBJECT_SAMPLE_FACTORS           	2_7_ko2_p1	S67	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_0801.CDF
SUBJECT_SAMPLE_FACTORS           	3_5_wt1_p1	S68	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_0901.CDF
SUBJECT_SAMPLE_FACTORS           	4_14_double4_p1	S69	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1001.CDF
SUBJECT_SAMPLE_FACTORS           	5_6_ko1_p1	S70	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1101.CDF
SUBJECT_SAMPLE_FACTORS           	QC.2	S71	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1201.CDF
SUBJECT_SAMPLE_FACTORS           	6_4_wt4_p1	S72	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1301.CDF
SUBJECT_SAMPLE_FACTORS           	7_12_double2_p1	S73	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1401.CDF
SUBJECT_SAMPLE_FACTORS           	8_8_ko3_p1	S74	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1501.CDF
SUBJECT_SAMPLE_FACTORS           	9_10_ko5_p1	S75	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1601.CDF
SUBJECT_SAMPLE_FACTORS           	10_9_ko4_p1	S76	Genotype:Aldh2-knockout | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1701.CDF
SUBJECT_SAMPLE_FACTORS           	QC.3	S77	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1801.CDF
SUBJECT_SAMPLE_FACTORS           	11_1_wt1_p1	S78	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_1901.CDF
SUBJECT_SAMPLE_FACTORS           	12_11_double1_p1	S79	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2001.CDF
SUBJECT_SAMPLE_FACTORS           	13_13_double3_p1	S80	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2101.CDF
SUBJECT_SAMPLE_FACTORS           	14_15_double5_p1	S81	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2201.CDF
SUBJECT_SAMPLE_FACTORS           	15_3_wt3_p1	S82	Genotype:Wild-type | Sample source:Liver	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2301.CDF
SUBJECT_SAMPLE_FACTORS           	QC.4	S83	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2401.CDF
SUBJECT_SAMPLE_FACTORS           	QC.5	S84	Genotype:- | Sample source:-	protocol=Metabolomics_POS; tof_mode=13_TOFMS_POS; RAW_FILE_NAME(Raw file_name)=20190508_rao_liver_metabolomics_POS_2501.CDF
#COLLECTION
CO:COLLECTION_SUMMARY            	C57BL/6 mice (n=15) were from 3 groups (WT, Aldh2-/-(ko),
CO:COLLECTION_SUMMARY            	Aldh2-/-Sptbn1+/-(double), n=5 per group) and fed normal chow diet for 10
CO:COLLECTION_SUMMARY            	months. Mice were euthanized and biospecimens were collected at the study
CO:COLLECTION_SUMMARY            	endpoints. For quality control, 6 QC samples were also included in the analysis
CO:COLLECTION_SUMMARY            	(total 21 samples).
CO:SAMPLE_TYPE                   	Liver
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment. Mice from different genotypes (WT, Aldh2-/-, Aldh2-/-Sptbn1+/-)
TR:TREATMENT_SUMMARY             	were fed on normal chow diet for 10 months.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Add 150 μL of chilled Water/Methanol/isopropyl alcohol (IPA) (35:25:40)
SP:SAMPLEPREP_SUMMARY            	containing the internal standards (Add 10 μL of Debrisoquine (1 mg/mL in ddH2O)
SP:SAMPLEPREP_SUMMARY            	and add 50 μL of 4-NBA (1 mg/mL in methanol) to 10 mL of 35% Water, 25%
SP:SAMPLEPREP_SUMMARY            	Methanol, 40% IPA) to the tissue (not more than 5mg of tissue). Homogenize
SP:SAMPLEPREP_SUMMARY            	samples on ice Add 150 ACN to the Homogenized samples. Vortex and keep it at -20
SP:SAMPLEPREP_SUMMARY            	°C for 20-30 minutes. Centrifuge samples at 14000 rpm for 15 min at 4 °C.
SP:SAMPLEPREP_SUMMARY            	Transfer Supernatant to MS sample vial (GLASS), cap, and run. Keep pellet for
SP:SAMPLEPREP_SUMMARY            	protein analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	For metabolomics
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Waters Acquity
CH:COLUMN_NAME                   	ACQUITY UPLC BEH C18 (2.1 x 50mm, 1.7um)
CH:SOLVENT_A                     	100% water; 0.1% formic acid
CH:SOLVENT_B                     	100% acetonitrile; 0.1% formic acid
CH:SOLVENT_C                     	90% isoporpanol/10% acetonitrile; 0.1% Formic Acid
CH:FLOW_GRADIENT                 	0-0.5 min with 95% (A)+5%(B), 0.5-8 min 2%(A)+98% (B), 8-10.5 min 2% (B)+98%(C),
CH:FLOW_GRADIENT                 	10.5-11.5 min 50%(A)+50% (B), 11.5-13 min 95% (A)+5%(B)
CH:FLOW_RATE                     	0.5 mL/min
CH:COLUMN_TEMPERATURE            	65
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Waters Xevo-TQ-S
MS:INSTRUMENT_TYPE               	QTOF
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The column eluent was introduced directly into the mass spectrometer by
MS:MS_COMMENTS                   	electrospray. Mass spectrometry was performed on a quadrupole-time-of-flight
MS:MS_COMMENTS                   	mass spectrometer operating in either negative or positive electrospray
MS:MS_COMMENTS                   	ionization. Positive mode has a capillary voltage of 3.0 kV, a sampling cone
MS:MS_COMMENTS                   	voltage of 30 V, and a source offset of 80 V. Negative mode has a capillary
MS:MS_COMMENTS                   	voltage of 2.75 kV, a sampling cone voltage of 20 V, and a source offset of 80
MS:MS_COMMENTS                   	V. The de-solvation gas flow was 600 L/hr. and the temperature was set to 500
MS:MS_COMMENTS                   	⁰C. The cone gas flow was 25 L/h, and the source temperature was 100 ⁰C. The
MS:MS_COMMENTS                   	data were acquired in the Sensitivity and MS Mode with a scan time of 0.1
MS:MS_COMMENTS                   	seconds, and inter-scan delay at 0.08 seconds. Accurate mass was maintained by
MS:MS_COMMENTS                   	infusing Leucine Enkephalin (556.2771 m/z) in 50% aqueous acetonitrile (1.0
MS:MS_COMMENTS                   	ng/mL ) at a rate of 10 μL/min via the lock-spray interface every 10 seconds.
MS:MS_COMMENTS                   	Data were acquired in centroid mode from 50 to 1200 m/z mass range for TOF-MS
MS:MS_COMMENTS                   	scanning. Pooled sample injections at the beginning and end of the run (one pool
MS:MS_COMMENTS                   	was created by mixing a set aliquot from all samples) were used as quality
MS:MS_COMMENTS                   	controls (QCs) to assess inconsistencies that are particularly evident in large
MS:MS_COMMENTS                   	batch acquisitions in terms of retention time drifts and variation in ion
MS:MS_COMMENTS                   	intensity over time. Peak picking from the Waters raw data was done using an
MS:MS_COMMENTS                   	R-based implementation of XCMS with parameter optimization using the
MS:MS_COMMENTS                   	Isotopologue Parameter Optimization (IPO) package. Intensity values were
MS:MS_COMMENTS                   	standardized to internal standards and protein quantification (per Bradford
MS:MS_COMMENTS                   	assay) for each sample. Data integrity check, normalization, univariate analysis
MS:MS_COMMENTS                   	and principal component analysis (PCA) was completed.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Normalized peak intensity
MS_METABOLITE_DATA_START
Samples	S64	S65	S71	S77	S83	S84	S66	S67	S68	S69	S70	S72	S73	S74	S75	S76	S78	S79	S80	S81	S82
Factors	Genotype:- | Sample source:-	Genotype:- | Sample source:-	Genotype:- | Sample source:-	Genotype:- | Sample source:-	Genotype:- | Sample source:-	Genotype:- | Sample source:-	Genotype:Wild-type | Sample source:Liver	Genotype:Aldh2-knockout | Sample source:Liver	Genotype:Wild-type | Sample source:Liver	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	Genotype:Aldh2-knockout | Sample source:Liver	Genotype:Wild-type | Sample source:Liver	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	Genotype:Aldh2-knockout | Sample source:Liver	Genotype:Aldh2-knockout | Sample source:Liver	Genotype:Aldh2-knockout | Sample source:Liver	Genotype:Wild-type | Sample source:Liver	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	Genotype:Aldh2-/-Sptbn1+/- | Sample source:Liver	Genotype:Wild-type | Sample source:Liver
"PS(22:4(7Z,10Z,13Z,16Z)/0:0)"	0.016374213	0.016416306	0.014361698	0.016309154	0.016143796	0.015322917	0.000895934	0.002152926	0.000999979	0.001934458	0.002917	0.001771463	0.002793764	0.002672319	0.002411442	0.003825168	0.002316609	0.002127907	0.003372355	0.001951814	0.000972356
Phe-Phe-OH	0.007952113	0.008847879	0.008294805	0.009597551	0.00714066	0.008238694	0.000515905	0.000824778	0.000600129	0.000915076	0.001207312	0.000737746	0.001289176	0.000997282	0.001159564	0.001347292	0.00084992	0.002414289	0.001225357	0.000766022	0.000464107
fumarylacetic acid	0.065271773	0.062514461	0.060082636	0.063593142	0.063955453	0.063488213	0.004837089	0.006967304	0.006043576	0.005504836	0.008410471	0.00581026	0.012795546	0.006835953	0.007562723	0.010634644	0.009797883	0.019661449	0.009900716	0.008254971	0.005102318
Val Val Gln	0.101542978	0.102178579	0.103738208	0.106899921	0.109831992	0.10830321	0.005149527	0.009945603	0.00643853	0.013476643	0.018160073	0.005976942	0.01650091	0.011081586	0.016494647	0.018656954	0.013788478	0.02385492	0.022371684	0.010308137	0.00922664
Asn Asn Ala	0.016885741	0.016354071	0.016186335	0.016024107	0.014211932	0.015449231	0.000947105	0.001632208	0.001034906	0.002313033	0.002783212	0.001061526	0.003685418	0.001707859	0.002700131	0.00246596	0.001644115	0.001629932	0.003672682	0.001361273	0.00149867
PI-Cer(t20:0/22:0(2OH))	0.016697811	0.016127693	0.014282501	0.01371108	0.012733573	0.014164022	0.000730595	0.001402508	0.00100706	0.001545028	0.002154263	0.001396721	0.002324195	0.001760925	0.001948711	0.00232618	0.001620811	0.003720243	0.002227695	0.001115557	0.000958426
Cortisol	0.026243688	0.025484663	0.02752812	0.027468218	0.027054649	0.027588767	0.001440305	0.003114777	0.000656496	0.003542423	0.005408305	0.001790085	0.005273648	0.001992202	0.005545172	0.006110035	0.0049979	0.009269523	0.007610819	0.002234076	0.000721342
Gln Ala Arg	0.060670242	0.097748111	0.088096134	0.064488918	0.09367642	0.099650391	0.006653472	0.009042103	0.007942658	0.011259366	0.013951354	0.009411705	0.015952776	0.012012514	0.01257174	0.015332553	0.01138114	0.01060223	0.016608343	0.008208712	0.006183819
Norlithocholic acid	0.338970881	0.349703815	0.362558761	0.361009575	0.367593943	0.362938201	0.017596099	0.032945225	0.019345354	0.04665318	0.057348975	0.020326611	0.086721756	0.039952602	0.059955562	0.058245199	0.044053612	0.078638586	0.090865214	0.028940632	0.035319859
Asn His Tyr	0.011550922	0.011181021	0.0145787	0.016350471	0.01747488	0.017512423	0.001376337	0.001730109	0.001348268	0.002322566	0.002314312	0.001674776	0.002470115	0.001822304	0.002594407	0.002265992	0.002019122	0.00173242	0.00292548	0.002400264	0.001364715
"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	0.203419772	0.206704478	0.219306452	0.220045646	0.231889689	0.232921824	0.010525376	0.019858553	0.011800177	0.029929411	0.036266635	0.012212672	0.051810717	0.024687757	0.035300021	0.035132575	0.026396731	0.041432414	0.054210899	0.017933527	0.021674966
"PI(22:0/20:2(11Z,14Z))"	0.029248152	0.027306539	0.023389761	0.023793999	0.021101954	0.021227116	0.001265096	0.00212575	0.001565587	0.002789588	0.003367792	0.002252269	0.003521127	0.002597102	0.003373602	0.003497661	0.00258022	0.006102501	0.00326776	0.001800774	0.001566183
TyrMe-Leu-OH	0.120294552	0.128299762	0.13239901	0.145788372	0.158728549	0.156408358	0.013182766	0.015673975	0.011559165	0.02317375	0.023342017	0.015911599	0.021606777	0.017494955	0.024153322	0.020676156	0.019432627	0.019805052	0.027237853	0.024298986	0.012341877
Phe His Glu	0.030153658	0.032503626	0.034724439	0.037827923	0.039253873	0.040430297	0.003221203	0.003739522	0.002807464	0.006105137	0.006053587	0.004018068	0.005483533	0.00461857	0.005848535	0.005155372	0.004995032	0.005043144	0.007035327	0.006179847	0.003072345
"PA(12:0/18:3(6Z,9Z,12Z))"	0.020582218	0.02026403	0.017938649	0.021830445	0.017657067	0.017984472	0.001679977	0.00255849	0.00189817	0.002392469	0.003329132	0.002370371	0.00294706	0.002287072	0.002880502	0.002583716	0.002183968	0.003092496	0.002808593	0.001994699	0.001424067
"CL(8:0/8:0/8:0/18:2(9Z,11Z))"	0.015100614	0.024677153	0.016948758	0.018573896	0.024678883	0.017214512	0.001998901	0.002614305	0.001343407	0.003040992	0.002155161	0.002156644	0.002505331	0.00313622	0.00277822	0.003425424	0.002132587	0.002733555	0.00320382	0.002983439	0.001275136
corticosterone	0.009798559	0.008427844	0.008925662	0.009900028	0.008313029	0.008767162	0.000640292	0.001342368	0.00062626	0.001203519	0.002265067	0.001030547	0.001318169	0.001317843	0.001734629	0.002764871	0.001663086	0.00218728	0.002009024	0.000845637	0.001243136
Isotridecenoic acid	0.043413595	0.04340419	0.045236087	0.042112821	0.047320121	0.043192742	0.000246593	0.000634438	0.000494058	0.000311818	0.001029647	0.000536785	0.001263811	0.000852944	0.000573894	0.001033892	0.001240219	0.014576148	0.001109577	0.000317668	0.000296172
Ganglioside GM3 (d18:1/12:0)	0.035753207	0.034829692	0.036573638	0.035652724	0.03718144	0.039613348	0.001384355	0.003482203	0.002448579	0.004481759	0.007245084	0.00379254	0.006352937	0.005122454	0.005840659	0.006485772	0.00489951	0.007740838	0.007436913	0.003958038	0.002614224
MIPC(d18:0/16:0(2OH))	0.024407337	0.024383694	0.024961793	0.024629692	0.028801409	0.029547094	0.001991815	0.002497768	0.001653248	0.003875588	0.003547347	0.002849386	0.004025208	0.003133339	0.003815776	0.004268214	0.002725775	0.003246797	0.003879032	0.003557054	0.001936259
"PI(22:4(7Z,10Z,13Z,16Z)/0:0)"	0.026863716	0.027300521	0.02592424	0.028328645	0.030635438	0.02834522	0.001295327	0.002831132	0.001708698	0.005255308	0.005552517	0.001690724	0.008060125	0.003769573	0.007823246	0.007044453	0.003488121	0.003153492	0.009101127	0.001977946	0.003390703
Isochapelieric acid methyl ester	0.576578647	0.578982327	0.58873318	0.619709424	0.65027392	0.643249693	0.06223436	0.070488097	0.052603403	0.099831095	0.099581861	0.071498351	0.090699133	0.074155774	0.096631656	0.093334361	0.082270626	0.107985368	0.104804924	0.099662174	0.04721879
Tyr Gln Gln	0.149721369	0.151867346	0.154889851	0.160382182	0.169753786	0.167046033	0.016643644	0.018481911	0.013871838	0.025781938	0.026008481	0.018804045	0.024097043	0.01974157	0.025033738	0.024466763	0.021722307	0.028417718	0.02743419	0.025982597	0.012292909
CL(8:0/8:0/8:0/a-13:0)	0.009478087	0.009550846	0.009434568	0.008327048	0.009011347	0.00731101	0.000735343	0.00124959	0.000763585	0.001413219	0.001124451	0.00120252	0.001568159	0.00117347	0.001538201	0.001633362	0.00099781	0.001019114	0.001494357	0.00118751	0.000746688
"PC(O-18:2(9Z,12Z)/0:0)[U]"	1.225718015	1.223313467	1.259857182	1.270321186	1.239816418	1.249462191	0.079870688	0.122701622	0.08895204	0.176555039	0.163301403	0.138218898	0.232470623	0.155383743	0.20707518	0.25394746	0.13831369	0.213211199	0.235875289	0.168462456	0.101371225
PIM1(17:0/18:0)	0.045595407	0.042871119	0.040106651	0.039141557	0.033637263	0.041660791	0.001718811	0.003338686	0.0026453	0.004319138	0.005626303	0.003849128	0.005998314	0.004550512	0.005614194	0.005677529	0.004317022	0.008802698	0.00611195	0.003080847	0.002481599
Trihexosylceramide (d18:1/18:0)	0.045085174	0.047862336	0.044778522	0.042342244	0.043978273	0.045457921	0.001836102	0.005206108	0.002559283	0.008078916	0.007434302	0.004651566	0.007493048	0.005218112	0.011584316	0.011155744	0.004488421	0.008613114	0.01090747	0.005321271	0.003961235
Isorhamnetin	0.026574786	0.025891519	0.025318878	0.029157623	0.027324489	0.02524056	0.001758479	0.002582584	0.001791657	0.003228405	0.003973606	0.00314201	0.006147516	0.003254316	0.004404173	0.004178938	0.00380123	0.006148962	0.004577771	0.003211639	0.001601073
N-arachidonoyl isoleucine	0.007662777	0.008155519	0.007507146	0.007228716	0.006231446	0.007381921	0.000288049	0.001181885	0.000262489	0.000915871	0.001362193	0.000978588	0.001154954	0.001234868	0.001499181	0.001259531	0.00131884	0.000859565	0.001174593	0.0012609	0.000792397
"CL(8:0/8:0/11:0/18:2(9Z,11Z))"	0.012361366	0.011594394	0.010346963	0.011286225	0.010714497	0.010608323	0.000589629	0.001081692	0.000889805	0.002241433	0.001575654	0.001039865	0.001872429	0.001079686	0.001805735	0.002142782	0.000969138	0.001374674	0.001811653	0.001217621	0.000799702
enantio-PAF C-16	59.10873105	59.57301304	60.74962423	59.68564072	59.65118878	60.25270171	3.81833898	5.854826746	4.250135458	8.818288507	8.008255799	6.772442176	10.02991347	7.242430866	9.61228871	11.8455739	6.583857362	9.423612356	11.00350525	8.360841826	4.785192409
Arg Gly His	0.018338266	0.015395224	0.016713609	0.017057063	0.016119712	0.018453713	0.001752711	0.002562365	0.002018005	0.002171788	0.003278013	0.002456456	0.003109933	0.002484032	0.003285624	0.003140467	0.00266945	0.00345106	0.002566002	0.001947611	0.001204173
"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))"	0.06751947	0.085631787	0.063564202	0.06810288	0.074734458	0.060787654	0.003038978	0.006427521	0.004546537	0.008427463	0.011658773	0.006860317	0.013911374	0.009520457	0.009646592	0.012159148	0.01104558	0.011600673	0.013126253	0.006565506	0.006236473
Arg Ser Ser	0.079689888	0.079435313	0.081734584	0.081315156	0.087158844	0.086124477	0.006420194	0.008009029	0.006902794	0.011031482	0.011973833	0.009198993	0.012852501	0.009819962	0.011080761	0.012454278	0.010249987	0.012515546	0.012949015	0.009280876	0.006951857
"PE(20:3(5Z,8Z,11Z)/14:0)"	0.019057675	0.020924515	0.020181627	0.017626726	0.019924708	0.019395655	0.003126517	0.001056937	0.00337429	0.001555703	0.002659004	0.002921516	0.002032714	0.001530233	0.001569266	0.001787076	0.004014012	0.00165185	0.001258021	0.001490717	0.00221619
PE(16:0/18:1(9Z))-15-isoLG lactam	0.245935586	0.241004548	0.272286741	0.25871606	0.268324128	0.294416729	0.01140859	0.024052066	0.013398072	0.040562307	0.041147849	0.023669326	0.044219298	0.030938491	0.068110002	0.096019513	0.025729937	0.029755831	0.072508752	0.037723712	0.023396819
NeuAcalpha2-3Galbeta-Cer(d18:1/20:0)	5.204158552	5.056146891	5.765268503	5.352036976	5.684244279	6.273609712	0.211691698	0.50290608	0.270443367	1.004274615	0.866974746	0.48476143	0.972072575	0.627620237	1.360697927	1.942556473	0.521052948	0.615103836	1.543545257	0.77183511	0.489828563
Neuromedin B (4-10)	0.006914017	0.006058996	0.00635318	0.007081509	0.006984077	0.00687676	0.000375233	0.000618175	0.000508937	0.000643179	0.000870233	0.00066427	0.001018016	0.00063343	0.000837991	0.000883777	0.000806741	0.001281415	0.000987605	0.000514174	0.000426509
Retinol	0.051494785	0.051784942	0.050646625	0.053763573	0.053966938	0.051760883	0.00339929	0.004841075	0.003517792	0.006449474	0.007754791	0.006111639	0.011597371	0.006274219	0.008034029	0.008007527	0.007387143	0.011582169	0.008927476	0.00627721	0.003625195
Stearoylcarnitine	0.021211143	0.022138877	0.019701524	0.02255629	0.022719551	0.021932817	0.001517266	0.002544295	0.001098868	0.003121574	0.003479136	0.002457124	0.005319308	0.002363572	0.003297282	0.002756597	0.003832015	0.003431259	0.005417065	0.00240819	0.00197892
MIPC(d18:0/20:0(2OH))	0.100164993	0.09830857	0.098057881	0.099916365	0.100932464	0.095790332	0.006620788	0.008405779	0.007877753	0.013700625	0.014326381	0.009088883	0.016962728	0.012460877	0.017400381	0.016757708	0.013234166	0.017320033	0.017975576	0.012918492	0.008917097
"PC(20:3(8Z,11Z,14Z)/0:0)"	6.81233992	6.267906125	6.918290785	7.061953705	7.090925055	6.774055573	0.283777988	0.644523934	0.438542209	0.91407374	1.279702304	0.464864769	1.264759928	0.799577833	1.199263923	1.378136432	1.057413409	1.306879698	1.58641416	0.621999554	0.793070804
O-Arachidonoyl Glycidol	1.330131489	1.346163469	1.387233453	1.448740148	1.434990509	1.356749719	0.09433346	0.126569028	0.090464621	0.174013842	0.206311225	0.158781478	0.306520356	0.156480514	0.212311231	0.211807592	0.179102424	0.311790643	0.233829033	0.163263953	0.089141572
Phe Ser Trp	0.026324661	0.026859865	0.0261062	0.024830945	0.027378585	0.025847506	0.002590225	0.003097516	0.002416372	0.004194248	0.004297548	0.003182126	0.003891937	0.003143605	0.004148515	0.004019897	0.003674662	0.004728064	0.00436607	0.00434198	0.001767548
Estrane;19-Norandrostane	0.525101921	0.554508627	0.554938888	0.541753072	0.562557536	0.626016113	0.02683452	0.048366206	0.036642864	0.05324588	0.084455321	0.061153326	0.08532085	0.065257957	0.080310348	0.089896133	0.064593574	0.202218743	0.093515981	0.037095456	0.037950932
Leu Leu Thr	0.013678029	0.012431541	0.010841343	0.010522813	0.011321867	0.012264615	0.000577151	0.000745335	0.000637791	0.000975416	0.001893223	0.000891171	0.001547565	0.001202913	0.001372399	0.001259991	0.001258083	0.006471617	0.001842504	0.000683841	0.000736524
Ptaerochromenol	0.010835449	0.010222381	0.008892897	0.010490063	0.009512012	0.009637707	0.000600684	0.001628328	0.000743559	0.001397641	0.001138298	0.000929945	0.002789084	0.000884161	0.000954409	0.002663635	0.001458128	0.003118296	0.001954559	0.000984405	0.000480608
DG(P-14:0/18:1(9Z))	0.018713245	0.01841248	0.017599292	0.015700649	0.015909139	0.015455627	0.002806891	0.000955636	0.002698347	0.001288085	0.002034521	0.002477705	0.001517304	0.001450622	0.001417445	0.001726789	0.003270296	0.002832534	0.001366312	0.001609006	0.001659352
"PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))"	0.064046517	0.064776523	0.054761541	0.057927821	0.052648084	0.057156381	0.002805027	0.00528774	0.004238697	0.006569989	0.007946839	0.006322357	0.009155866	0.006601388	0.007903564	0.009036564	0.006637329	0.012621051	0.008631313	0.004557097	0.003904884
xi-Pinol	0.017440802	0.018519825	0.018145953	0.017271789	0.020244684	0.019874581	0.000843475	0.001726248	0.001262597	0.002009575	0.002793362	0.002140052	0.002995582	0.002312301	0.002650846	0.003068342	0.002567996	0.005556684	0.00329045	0.001517011	0.001324098
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))"	0.051938697	0.054584124	0.052590991	0.055606423	0.052689378	0.049526858	0.008096297	0.00328005	0.015969875	0.005475126	0.005519909	0.006437351	0.003274736	0.003131483	0.003609768	0.006426044	0.008742159	0.002995795	0.002934324	0.0051849	0.004795576
"PG(22:4(7Z,10Z,13Z,16Z)/0:0)"	0.079566512	0.082087736	0.068224452	0.075603178	0.090732654	0.079517639	0.005823801	0.008217623	0.007537496	0.010406392	0.011239481	0.00985313	0.014263576	0.011149655	0.013265018	0.012002934	0.01049724	0.013786967	0.01419439	0.008645657	0.00685235
"ent-2alpha,3alpha-Dihydroxyisokaurene"	0.113060978	0.112784343	0.110353727	0.114408412	0.116300805	0.114604711	0.00477382	0.009606585	0.008166124	0.012853515	0.015717634	0.011024317	0.017906572	0.013766769	0.015467897	0.017612232	0.013154915	0.030770308	0.018250044	0.00976841	0.008628421
Palmitoleic Acid ethyl ester	0.126214891	0.132361119	0.135817175	0.12136191	0.136476224	0.136573457	0.005190059	0.01203726	0.010409178	0.015144711	0.019214456	0.013765285	0.022493704	0.016963077	0.017718961	0.020663686	0.014417223	0.035502308	0.023344897	0.011377317	0.008903502
"PI(20:4(5Z,8Z,11Z,14Z)/0:0)"	0.287750166	0.289229412	0.267975433	0.268163059	0.260261205	0.264485854	0.018750452	0.024976739	0.021095681	0.036831899	0.04050374	0.030270593	0.053276042	0.029462828	0.03674613	0.03786838	0.032358214	0.053032857	0.03993405	0.030419876	0.017203059
Omega-Carboxy-trinor-leukotriene B4	0.775646351	0.766260045	0.717602177	0.690467371	0.690454982	0.689510985	0.046745215	0.06712749	0.059155693	0.084296714	0.098708173	0.078998244	0.107563211	0.079096035	0.090580211	0.101231302	0.083509184	0.13612539	0.099500907	0.065455084	0.052981457
Pro Gln Pro	0.023111122	0.024248491	0.024341859	0.024774105	0.026861637	0.024181245	0.001142929	0.002340173	0.004297794	0.002070079	0.004071589	0.0019221	0.003879742	0.002796363	0.004076498	0.005244027	0.004289039	0.004253298	0.003774437	0.002153646	0.003522335
Leu Ala His	0.017773808	0.016805135	0.014746888	0.014890899	0.012985509	0.014516806	0.001725245	0.001664669	0.001450904	0.002095521	0.00216836	0.001712118	0.002700731	0.001821755	0.002052934	0.002162371	0.001845017	0.001764606	0.002181556	0.001944067	0.001341527
PE(P-16:0/14:1(9Z))	0.012966746	0.019569557	0.01618189	0.010980051	0.01322032	0.016812549	0.0012302	0.00139585	0.000986469	0.000697577	0.00267053	0.00143862	0.001107336	0.001490736	0.001700693	0.002513473	0.001771211	0.000608234	0.001108101	0.000898066	0.000835178
Ser Leu Lys	0.02556585	0.024192902	0.022314161	0.020988982	0.020586418	0.021266812	0.001098385	0.001422236	0.001096929	0.001847571	0.003876296	0.001790434	0.002423129	0.002228257	0.002666838	0.002411125	0.002523915	0.012622959	0.003713335	0.001200719	0.001433281
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	1.841599167	1.820689851	1.860245226	1.865954558	2.019760794	1.850928436	0.134570601	0.145421376	0.135202996	0.286883571	0.230687995	0.177034262	0.332561035	0.212365577	0.272989097	0.270463426	0.22813583	0.338976141	0.316964932	0.284875592	0.140586947
His-Nap-OH	0.048260907	0.048092904	0.041623014	0.041683957	0.039238681	0.037496059	0.00199469	0.003916917	0.003331065	0.005169776	0.006050593	0.004688721	0.006594138	0.005129783	0.005373916	0.00582601	0.004721307	0.008065167	0.005888925	0.003797348	0.00298825
"PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.078305337	0.078792941	0.084192385	0.085099109	0.091379771	0.084267976	0.006501168	0.005978184	0.006990374	0.011897074	0.010758258	0.008263003	0.012198711	0.009141788	0.012527269	0.013663638	0.010876844	0.012097521	0.013869936	0.011764975	0.007500442
PC(O-14:0/2:0)[U]	90.79813322	89.47450238	88.63151138	90.68301881	91.11688275	87.33182861	6.642166142	7.247331915	7.339033989	13.23785372	11.70956655	9.037091321	16.45044041	10.60217611	14.70204872	14.82879318	11.03254461	16.23836507	16.43166134	12.12744194	7.616370915
"MGDG-O(16:3(7Z,10Z,13Z))"	0.022794694	0.022303158	0.022015049	0.021310215	0.020410987	0.020336242	0.001768128	0.001764762	0.002022335	0.003136209	0.002666281	0.002168968	0.002951835	0.002487597	0.00272636	0.00301038	0.002485735	0.003305484	0.002735745	0.002702556	0.001768762
Phe His Arg	0.58820546	0.592689254	0.612459162	0.626565783	0.632286175	0.613025842	0.050088752	0.0521678	0.054277764	0.090369331	0.072714322	0.070718183	0.103162498	0.072221445	0.090170635	0.088721888	0.076710044	0.106325719	0.100783621	0.088224858	0.050630737
Tumonoic Acid I	4.354005222	4.352479297	4.207317471	4.200539288	4.165454158	4.053785511	0.319343576	0.342137217	0.352214624	0.618849333	0.559661902	0.436806281	0.784472454	0.509365567	0.698183874	0.703222586	0.532795925	0.773290738	0.782289599	0.563466393	0.35309091
Lys Lys Tyr	0.135705239	0.138181218	0.140943558	0.139650005	0.141652963	0.140839179	0.011380561	0.012001423	0.011930105	0.020618139	0.016549922	0.016252843	0.02371219	0.016489638	0.020650301	0.020795245	0.017527641	0.0240568	0.022659025	0.019819869	0.011780176
"PC(O-16:2(9E,10E)/0:0)[U]"	2.359049248	2.393102743	2.334592702	2.501323748	2.475052489	2.281132605	0.17190002	0.186734104	0.194344027	0.345010638	0.308828615	0.234712747	0.45642722	0.281996931	0.427001535	0.422174445	0.337901202	0.462039287	0.491338653	0.329312152	0.21172748
Polyporusterone A	0.612688619	0.620148509	0.60025921	0.64324162	0.629824579	0.59041825	0.044586207	0.048200601	0.0504829	0.088671861	0.081754155	0.060829796	0.117079396	0.073017594	0.109351486	0.107908958	0.088656196	0.118854854	0.125977389	0.084385332	0.054062313
Docosanamide	0.008906086	0.009662624	0.007728933	0.009502213	0.010273507	0.00932066	0.000906481	0.000823046	0.000785281	0.00126253	0.001062364	0.000977943	0.001402732	0.000869806	0.001033469	0.001115178	0.000897293	0.001290984	0.001200605	0.001168442	0.000777629
PA(22:1(11Z)/0:0)	1.753998652	1.827177495	1.787882426	1.864205839	1.767645771	1.699091626	0.150496199	0.163626823	0.159858782	0.266783224	0.188741786	0.206497379	0.273181347	0.212378885	0.244828469	0.231678896	0.196150937	0.301209085	0.254870327	0.264529776	0.136487785
Arg Trp Val	0.010837948	0.011231403	0.016535523	0.015440624	0.017492993	0.019925018	0.001183835	0.001472565	0.001107677	0.002254843	0.002564281	0.001792811	0.002303275	0.001611097	0.002280017	0.00220818	0.002023573	0.002929624	0.00265101	0.002641966	0.001295018
"PC(18:3(6Z,9Z,12Z)/0:0)[U]"	7.029337696	7.238598882	6.989978826	7.110376795	7.240706748	6.666161888	0.597005413	0.630755037	0.637616619	1.01605883	0.8093309	0.848757132	1.090113668	0.826117943	0.954539614	0.944434514	0.846476797	1.137618344	1.03200953	1.028951561	0.567183457
Succinic acid semialdehyde	0.020771072	0.02513263	0.02305887	0.025642524	0.023830815	0.023452942	0.002076015	0.002254326	0.00126426	0.003422	0.00299463	0.002021421	0.00499495	0.002433728	0.00546474	0.00395953	0.003219479	0.005217989	0.004486124	0.003283674	0.001912549
PIM1(18:1(9Z)/18:1(9Z))	0.048141977	0.039298259	0.037578559	0.042011676	0.036651636	0.036042558	0.002916133	0.003681647	0.003196238	0.006468029	0.006176776	0.00411226	0.005580752	0.004264062	0.006208345	0.004951367	0.005147621	0.006951337	0.008218655	0.005284019	0.00358181
SM(d16:1/18:1)	0.030296201	0.03496822	0.036026414	0.035823654	0.038902663	0.035750577	0.003454	0.002947245	0.002463869	0.005989983	0.003907815	0.004447091	0.00656048	0.003697559	0.004379809	0.00526633	0.003728651	0.007034099	0.005845535	0.006027293	0.003055217
Leukotriene D4 methyl ester	0.084008739	0.078378729	0.082890207	0.093543621	0.088630322	0.078217273	0.006694844	0.007885259	0.006192444	0.013346326	0.012994902	0.009560375	0.013054697	0.009186239	0.013148588	0.016063941	0.01228636	0.011685766	0.014155785	0.010824073	0.007365508
Ethyl 2-furanacrylate	0.009629078	0.009860368	0.008262646	0.010449873	0.010589482	0.010034254	0.001001032	0.00090968	0.000936478	0.001295311	0.001340071	0.001165019	0.001437717	0.001079311	0.001190852	0.001502456	0.001207062	0.001460087	0.001364283	0.00132905	0.000853276
CL(8:0/10:0/10:0/a-13:0)	0.04827165	0.041824113	0.048248172	0.048025348	0.03909252	0.046624172	0.002430292	0.002866114	0.003834288	0.005741081	0.007515892	0.003071893	0.007218429	0.005872933	0.008750801	0.009077654	0.007543175	0.008612055	0.008994424	0.005366362	0.003677277
Gln Asp Phe	0.014853676	0.014661545	0.017128641	0.017560079	0.017407906	0.018076125	0.001730757	0.001688532	0.00143212	0.002237552	0.00262621	0.001907516	0.002838869	0.001991876	0.002107275	0.00191147	0.003416469	0.003073583	0.002519374	0.00237701	0.001445663
Tyr Lys Gly	0.130909011	0.127728168	0.117879673	0.137579794	0.135538856	0.125546585	0.010561675	0.013392375	0.010063845	0.021008916	0.016082471	0.016852528	0.019979013	0.015297234	0.015372634	0.019388085	0.015934657	0.020052886	0.021680436	0.020050945	0.010826635
Marmesin rhamnoside	0.006032751	0.005161198	0.004674174	0.006425109	0.005096329	0.005304445	0.000520625	0.000396285	0.000557521	0.000677546	0.000759098	0.000573608	0.000916532	0.000635885	0.000775039	0.000859956	0.000746843	0.00084795	0.000721373	0.000748554	0.00045482
L-Carnitine	0.484053832	0.525039435	0.498980492	0.486156269	0.530229737	0.518780253	0.043156549	0.048687295	0.036161652	0.069240169	0.062622489	0.05742267	0.103632735	0.056934719	0.098453247	0.085710659	0.069531362	0.10136563	0.087805398	0.069507875	0.037407646
"PA(20:4(5Z,8Z,11Z,14Z)e/2:0)"	0.546083543	0.55520676	0.572155489	0.583066844	0.601070967	0.598875255	0.038505801	0.054313611	0.045580023	0.08133236	0.075101708	0.067673654	0.091795931	0.06664035	0.080506598	0.092765036	0.066320842	0.091548468	0.090882897	0.076179793	0.047712076
"PIP(18:3(6Z,9Z,12Z)/18:1(11Z))"	0.043628999	0.056058957	0.044885563	0.043461939	0.037988276	0.037242602	0.003447478	0.003724961	0.002475842	0.007636389	0.003250059	0.00427787	0.010333513	0.004907206	0.005953878	0.004988509	0.003280251	0.009697221	0.006216475	0.006887028	0.004390666
Trp Gln Lys	0.022983891	0.023476532	0.023503789	0.021601322	0.023872037	0.023475626	0.001724381	0.002099998	0.002051029	0.003287662	0.002643171	0.002882438	0.003693326	0.002614818	0.003025622	0.003158038	0.002743354	0.003581686	0.003692591	0.00327772	0.00185907
"PI(19:0/20:5(5Z,8Z,11Z,14Z,17Z))"	0.216637102	0.237305905	0.253627501	0.241340897	0.241225125	0.24995887	0.020542603	0.021232059	0.01269467	0.039335647	0.016568003	0.02706008	0.047960966	0.026507537	0.031844815	0.022632521	0.019541756	0.043827426	0.035893826	0.038475265	0.021209588
Tyr Val Ile	0.010867233	0.011648699	0.013397062	0.011859289	0.013366926	0.01252052	0.001419823	0.001438272	0.001025129	0.002123812	0.002069771	0.001366289	0.00174507	0.001371169	0.00196339	0.001875972	0.001530709	0.002000496	0.001907562	0.0019799	0.000865442
Glu Met Cys	0.023737296	0.023645439	0.023645162	0.026385559	0.024750171	0.022249006	0.001671867	0.001825836	0.001920691	0.004091086	0.003342765	0.002601169	0.004748959	0.003090465	0.00418629	0.004214329	0.003419065	0.003165518	0.004828328	0.00320711	0.002295629
TG(18:0/20:3n6/18:0)	0.004212604	0.004262167	0.003503076	0.003158892	0.003683044	0.003328782	0.00024013	0.000387014	0.000340492	0.00061213	0.00042847	0.000411945	0.000850101	0.000403719	0.000515263	0.00038706	0.000572309	0.000784302	0.000770435	0.000497428	0.000385596
NeuAcalpha2-3Galbeta-Cer(d18:1/24:1(15Z))	0.007117991	0.006926254	0.006642931	0.006636645	0.006380249	0.005730813	0.000526109	0.000503448	0.000681468	0.000889319	0.000866415	0.000749285	0.001267412	0.000808639	0.000877381	0.000933391	0.000881395	0.001158484	0.001008771	0.000899867	0.000632638
Spermine	0.000911402	0.000952039	0.000997736	0.001075871	0.000772082	0.000748089	7.73E-05	8.32E-05	7.73E-05	0.000127159	0.000121102	0.000103081	0.000118723	8.94E-05	9.37E-05	0.000100847	0.000110403	0.000138747	0.000118242	0.000105341	7.62E-05
Tyr His Gln	0.027302424	0.022734193	0.025422709	0.026120301	0.025313097	0.019573504	0.001940748	0.001856598	0.002373873	0.003443728	0.00327489	0.002972262	0.003489333	0.00283998	0.003373952	0.003358219	0.003322215	0.004210368	0.003615548	0.003261702	0.002068168
Safingol ( L-threo-sphinganine)	0.056056501	0.055934651	0.055345021	0.057469031	0.05882119	0.058390099	0.005563875	0.005207869	0.005178814	0.008325048	0.00724535	0.007348416	0.008720152	0.006655236	0.007145395	0.008030939	0.007427098	0.008294978	0.008412271	0.00767794	0.00492277
Congmunoside XV	0.010144371	0.010431081	0.009795078	0.009322163	0.009058865	0.00954723	0.000978988	0.00110698	0.000920645	0.001505833	0.001300729	0.001059571	0.001315965	0.000993969	0.001145267	0.001290603	0.001198603	0.001307683	0.001108137	0.001345309	0.000832359
Isoglobotriaose	0.014852421	0.01293795	0.01292613	0.012829241	0.012773693	0.012240094	0.001489927	0.00153999	0.001380123	0.002095411	0.00219138	0.001615645	0.002117421	0.001666079	0.001634155	0.001261144	0.002147571	0.001817264	0.002081358	0.001692996	0.001293714
MIPC(d18:0/24:0(2OH))	0.054837017	0.056286602	0.056948272	0.053580056	0.054825827	0.060187225	0.003504874	0.006033291	0.004531999	0.00896565	0.008369139	0.00703041	0.010052876	0.006485823	0.009334985	0.0116552	0.006891115	0.008292287	0.010653937	0.008161722	0.005005281
Phe Met Arg	0.14209528	0.143457458	0.143907939	0.153557779	0.15179101	0.14107959	0.011819416	0.013442246	0.013508463	0.019458477	0.019982676	0.017024085	0.018197102	0.014287262	0.020122459	0.023741351	0.020969512	0.019648553	0.02219027	0.019771314	0.01443411
"Ethyl (2E,4E,7Z)-Decatrienoate"	0.011188395	0.01150512	0.011349213	0.012300393	0.013808774	0.012346037	0.001190677	0.001108633	0.001195652	0.001708479	0.001705759	0.001509282	0.001682745	0.001415976	0.00176505	0.001515143	0.001724961	0.002057319	0.001818974	0.001592191	0.001077058
Isorhamnetin 3-rutinoside 4'-rhamnoside	0.005575901	0.005716446	0.007309242	0.008116567	0.008191612	0.007316851	0.000374361	0.000347982	0.000494748	0.001125483	0.00090248	0.000743128	0.001732414	0.001099282	0.001508792	0.001488623	0.000837961	0.001097341	0.001586066	0.001121918	0.000757599
Ganglioside GA2 (d18:1/24:1(15Z))	0.005315791	0.00609965	0.005366065	0.005573677	0.006205016	0.005656351	0.00054683	0.0005014	0.000653828	0.00099417	0.000745622	0.000734083	0.000863219	0.000762349	0.000864779	0.000688447	0.000752935	0.000906509	0.000879131	0.000770491	0.00052909
PC(O-18:1(9E)/0:0)[S]	0.280233291	0.285514879	0.300339497	0.303157781	0.312546208	0.303177551	0.015921745	0.01730434	0.033749216	0.052891361	0.042964547	0.036464339	0.053441885	0.02778432	0.064667007	0.047688392	0.045788669	0.058141768	0.052764352	0.066718114	0.025083415
PC(15:0/0:0)[S]	0.205666344	0.206947178	0.205868738	0.219797777	0.224793625	0.214748937	0.012941662	0.012342398	0.017442595	0.033189344	0.031399438	0.027243017	0.033963014	0.02724914	0.032956275	0.035419339	0.041293517	0.031666162	0.04159959	0.037497539	0.019956596
PC(2:0/2:0)[S]	0.023294069	0.023451317	0.021896336	0.023252429	0.02316715	0.022061093	0.001830189	0.001737827	0.002067435	0.003256564	0.002989482	0.003090947	0.004145214	0.002708488	0.003045344	0.003110232	0.003084489	0.003903935	0.003560989	0.003319712	0.002058448
"PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))"	0.020910454	0.021015083	0.020088797	0.018913095	0.019978916	0.020717515	0.001881186	0.001766506	0.001914207	0.003226451	0.00198158	0.002505296	0.003173166	0.002054126	0.00272709	0.002856927	0.002571817	0.002820744	0.002624146	0.002914097	0.001537622
PC(O-18:0/O-2:1(1E))	0.005671638	0.005406482	0.005301836	0.004896762	0.004931265	0.005658492	0.000277451	0.000334292	0.000450414	0.000860009	0.000855496	0.000575342	0.000801874	0.000462949	0.000812002	0.001076188	0.000768108	0.000701205	0.001007502	0.000680655	0.000398014
PE(20:1(11Z)/0:0)	0.240366518	0.248031237	0.247915922	0.245547847	0.247772666	0.259090407	0.022213028	0.022008402	0.019176623	0.035221073	0.043180528	0.024036316	0.03600121	0.025610678	0.041133065	0.040576397	0.035621112	0.034796711	0.046039821	0.027605291	0.025219087
Trihexosylceramide (d18:1/12:0)	0.006457049	0.006510306	0.006105906	0.006809287	0.006745621	0.006497986	0.00046383	0.00036873	0.000426419	0.000769351	0.001124897	0.000640345	0.000774645	0.000713379	0.000713984	0.000951284	0.000862696	0.001076764	0.00109529	0.000707151	0.000368324
Ethyl 3-iodo-2E-acrylate	0.875774757	0.858735121	0.851501931	0.884701088	0.89426781	0.825882449	0.069824829	0.06739055	0.084808704	0.120589787	0.105425156	0.107758928	0.153814817	0.098159427	0.108136022	0.120012205	0.111204322	0.151640528	0.126188561	0.11494856	0.081521799
Lys-His-OH	0.026449914	0.024793695	0.027089735	0.028578102	0.025732223	0.025008867	0.002037001	0.002092309	0.002644488	0.003562109	0.003206638	0.00306372	0.004133146	0.002868505	0.003502629	0.003462833	0.003310357	0.004684	0.003837287	0.003290959	0.00237705
"PE(20:4(5Z,8Z,11Z,14Z)/0:0)"	0.632956641	0.634901817	0.609701279	0.635142026	0.617484504	0.623721417	0.053438638	0.05270668	0.055122866	0.089727893	0.091539036	0.076339206	0.101804192	0.083802078	0.106702111	0.087973632	0.091797069	0.100141995	0.108617614	0.073432241	0.056460672
"PIM1(18:2(9Z,12Z)/18:1(9Z))"	0.236273047	0.195290308	0.196177811	0.154382149	0.172243031	0.169664571	0.018358643	0.018127366	0.015791784	0.036152289	0.026265192	0.020044799	0.028242125	0.021080073	0.021588812	0.022429555	0.020136455	0.027359904	0.023029355	0.028273392	0.011624901
Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate	0.021767149	0.0234995	0.021664947	0.022504049	0.023427342	0.023479442	0.001480114	0.001747892	0.001952336	0.003171982	0.003562225	0.002097043	0.003835972	0.002859297	0.003722168	0.003798628	0.003000356	0.003997066	0.004700276	0.002487006	0.002265164
Trp Ser Asn	0.041174037	0.037622166	0.037273171	0.039902714	0.040280576	0.036285026	0.002894872	0.00326466	0.003744252	0.005373212	0.00476932	0.004681049	0.006117114	0.004090088	0.004522001	0.005268564	0.004815132	0.006814551	0.005684198	0.00480653	0.003370642
Pyroglutamic acid	0.316046794	0.334048999	0.322826587	0.30888797	0.334849065	0.322771237	0.024527747	0.037297736	0.0357191	0.049612765	0.028345938	0.039661363	0.062605178	0.036198041	0.040651795	0.037003943	0.04650626	0.048527412	0.0456543	0.046960143	0.026510526
PC(24:0/P-18:0)	0.008183939	0.010322066	0.007982445	0.01051365	0.009830347	0.011394277	0.000640808	0.000930823	0.000979128	0.001441755	0.001102072	0.00108258	0.002049292	0.001256885	0.001667511	0.001344516	0.001695076	0.002419852	0.001920633	0.001534538	0.001213465
Hydrocortisone butyrate propionate	0.024679568	0.022752305	0.024091661	0.02162098	0.024718779	0.024775257	0.001714515	0.002277724	0.001825679	0.003387239	0.002960835	0.003083443	0.003753667	0.002622409	0.003249432	0.003756158	0.002957009	0.003557462	0.003754178	0.002980974	0.001953108
Progesterone 3-PEG11-biotin	0.003944422	0.004300902	0.004688016	0.004005941	0.004783975	0.004862293	0.000312712	0.000493733	0.000410355	0.000675144	0.000556422	0.000571915	0.000965774	0.000533825	0.000570964	0.0005729	0.000567443	0.000885421	0.000721682	0.000598137	0.000416995
Furcatin	0.016487172	0.015480361	0.014541299	0.015365929	0.013128062	0.014007256	0.001103765	0.001157328	0.001406125	0.002231505	0.001777524	0.001919732	0.002466904	0.001651687	0.001911195	0.002059954	0.001748021	0.002508991	0.002097919	0.001918216	0.001259564
Neu5Aca2-3Galß1-4Glcß-Sp	0.011549702	0.012244071	0.014195375	0.014580201	0.015827933	0.012450412	0.000839235	0.000900343	0.001031038	0.001950364	0.001919524	0.001541993	0.003384194	0.002231209	0.002795467	0.002494764	0.001743518	0.002029665	0.002987066	0.002063101	0.001438548
PE(18:1(9Z)/0:0)	0.486403086	0.495610122	0.536088789	0.525761758	0.559132581	0.550695101	0.036581457	0.046389358	0.046105524	0.068177832	0.08029355	0.054968681	0.062503055	0.048818878	0.072250493	0.088203872	0.074751999	0.073572866	0.082379058	0.06317667	0.052284071
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	1.670244747	1.659758905	1.751604407	1.777593149	1.900937914	1.794904087	0.106057376	0.166688506	0.118733604	0.25704756	0.288752077	0.213576717	0.306658843	0.244195393	0.217603119	0.310736655	0.257281949	0.258280951	0.349014568	0.223905542	0.159120285
Tyr Met Asn	0.01080833	0.011113701	0.012016998	0.012830156	0.011985871	0.011738047	0.001138434	0.001244663	0.001092351	0.001585241	0.001729995	0.001467711	0.001565576	0.001400389	0.001492146	0.001073799	0.001514013	0.001974234	0.001554894	0.001685902	0.00095728
montanoyl-CoA	0.007297794	0.009495198	0.008912605	0.006371899	0.008844987	0.00887712	0.000506422	0.000710505	0.000619601	0.0010255	0.0012655	0.000849615	0.001755038	0.000820952	0.001291848	0.001232367	0.000981505	0.001653649	0.001494989	0.000864995	0.000598565
Stearamide	0.081362247	0.08566451	0.085653224	0.085484268	0.085784836	0.086798765	0.008119398	0.007328519	0.007188845	0.013491776	0.011599216	0.010448067	0.011801455	0.00995495	0.010758453	0.012497345	0.010288465	0.012603982	0.012883634	0.009908523	0.006830083
Nor-psi-tropine	0.004731497	0.004751773	0.00492882	0.005746229	0.005417094	0.005081497	0.000546238	0.000507463	0.000596548	0.000662253	0.000605423	0.000644987	0.000772686	0.000568798	0.000606158	0.000797804	0.000563097	0.000708501	0.000765757	0.000719032	0.000480871
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))"	7.878654627	7.856122164	7.95135171	7.816391747	7.758387358	7.601408435	0.629398288	0.708506161	0.579941812	1.196220422	0.827569869	1.030919239	1.598207866	0.891557227	1.074061209	0.893270435	0.85306059	1.380015921	1.029858298	1.10393825	0.671431877
Tyr Thr His	0.038101717	0.037888969	0.033258177	0.039232612	0.036482893	0.035242917	0.002987849	0.003086126	0.003877053	0.005231457	0.004961505	0.004668226	0.005802978	0.003890777	0.004690777	0.005247616	0.00499952	0.006789587	0.005282832	0.004888873	0.003208805
Val Pro Gln	0.177391808	0.179002011	0.160975217	0.190784087	0.190330796	0.173478244	0.014725158	0.017866682	0.017106262	0.025564937	0.020163586	0.023264322	0.030497333	0.022069682	0.026354793	0.023015554	0.021249668	0.033837985	0.027318328	0.023683623	0.01253481
"PIM2(19:1(9Z)/16:2(9Z,12Z))"	0.017032813	0.016636015	0.015849531	0.014158772	0.014077668	0.016116477	0.001143111	0.001863328	0.001315999	0.002536432	0.002319456	0.002086308	0.002581189	0.001757426	0.002414685	0.00212123	0.001959114	0.002159166	0.002527646	0.002054161	0.001415112
"TG(22:1(13Z)/15:0/20:4(5Z,8Z,11Z,14Z))"	0.042178223	0.04294891	0.040373014	0.037307733	0.040006873	0.034142885	0.003134727	0.002824488	0.003895608	0.005915538	0.004682168	0.005002914	0.008079987	0.00464041	0.005187468	0.005739364	0.004895456	0.007923417	0.005550793	0.005332957	0.00367811
"PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))"	0.224361313	0.226849035	0.227205211	0.22052417	0.224609564	0.226115871	0.018274101	0.020675524	0.016997876	0.034504983	0.023044487	0.029050558	0.049828178	0.024271208	0.032401358	0.025236416	0.025251156	0.045646433	0.032239535	0.031229473	0.022477957
Trp Gln Gln	0.019724898	0.020203638	0.018429922	0.017877168	0.01862377	0.018703436	0.001555694	0.001303547	0.001879306	0.002638337	0.002540883	0.002341896	0.003033135	0.001798717	0.00239657	0.002426713	0.002307513	0.003015802	0.002610646	0.002317665	0.001443043
Tumonoic Acid H	0.212016441	0.216321007	0.217314529	0.225761905	0.220780583	0.217953942	0.026227036	0.017888344	0.016782533	0.034648627	0.027776758	0.02108997	0.025683721	0.027906879	0.027466373	0.031386198	0.022720594	0.028890233	0.032547841	0.032840844	0.015751854
PGA2 methyl ester	0.006388007	0.006402892	0.006378321	0.005811936	0.00606038	0.006491933	0.00016658	0.00021458	0.000146048	0.001071493	0.001020504	0.000569456	0.000717037	0.000747529	0.001410274	0.000571632	0.002862425	0.001325197	0.002108192	0.000640081	0.000333973
"PI(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.360114797	0.368734157	0.375993	0.393739968	0.399175131	0.382219545	0.034332959	0.030890005	0.0471168	0.062128255	0.040859891	0.048074812	0.069119268	0.040858498	0.054260403	0.044641835	0.048445727	0.059399481	0.055465591	0.051309008	0.034282328
Leukotriene D4-d5	5.27722982	5.290248684	5.133092178	5.500807145	5.532846795	5.289589517	0.452789077	0.444489866	0.494640056	0.781615676	0.788881679	0.679524217	0.903869792	0.729830422	0.870176061	0.785756093	0.833565586	0.741448986	0.920078059	0.644077006	0.508961838
Phytanol	0.249563493	0.258662056	0.263247069	0.27098918	0.272189333	0.265584531	0.025954435	0.02703851	0.027507398	0.036135217	0.032631237	0.032732303	0.036938348	0.028791805	0.030710202	0.038195619	0.031316316	0.031141992	0.038160501	0.03630825	0.024005851
Pyro-L-glutaminyl-L-glutamine	0.213742958	0.210968649	0.202855063	0.204205457	0.211028148	0.204366865	0.013655696	0.033303481	0.018140758	0.035062648	0.021131442	0.017263654	0.0517081	0.017714923	0.019205079	0.042822275	0.025293381	0.053982387	0.033106885	0.019791785	0.008256601
"PA(21:4(6Z,9Z,12Z,15Z)/0:0)"	0.047561841	0.049296426	0.049735736	0.050967739	0.052848298	0.054638162	0.002255829	0.003443419	0.003713263	0.007027876	0.007312257	0.003448119	0.008662208	0.005509861	0.010708054	0.009543379	0.006827612	0.010078723	0.013248241	0.007414253	0.006696936
"LPIM1(19:2(9Z,12Z)/0:0)"	0.014097326	0.01337299	0.011822376	0.011547262	0.012945762	0.013329049	0.000963473	0.001134831	0.00095491	0.001699854	0.001699413	0.001543038	0.002063923	0.001419549	0.001608583	0.001731351	0.001623341	0.00229709	0.001916149	0.001390462	0.000981716
Coflodiol	0.003901006	0.003409658	0.003218123	0.004061387	0.003527603	0.003828957	0.000226357	0.000518221	0.00013179	0.000957224	0.000338617	0.000493123	0.000597297	0.000560734	0.000747842	0.000592707	0.000243936	0.002225326	0.000819575	0.000752957	0.000294954
Desmosterol	0.045204652	0.047764616	0.048465803	0.047041126	0.046430886	0.047294752	0.004481811	0.004478208	0.004392233	0.006425309	0.006078326	0.006267269	0.00708379	0.005382273	0.005707675	0.00615309	0.006044697	0.006514306	0.006877167	0.006159231	0.004019314
Pteroside A	0.018291527	0.01603389	0.01525308	0.017181612	0.016249612	0.01552325	0.000980747	0.001418081	0.001571852	0.002412052	0.002331271	0.002023856	0.002856781	0.001868681	0.002319442	0.002160345	0.002311583	0.002682331	0.002586686	0.002067328	0.00093381
TG(14:0/o-18:0/20:2n6)	0.012634861	0.013299296	0.012597387	0.013162399	0.012835333	0.011942443	0.001100306	0.000771928	0.001394795	0.001806	0.001483593	0.001578778	0.002154237	0.001421891	0.001677661	0.001749423	0.00162774	0.002122911	0.002073438	0.001511072	0.001083106
Asp Asp Asn	0.1268774	0.123489515	0.126860059	0.123926881	0.120928656	0.113723425	0.009747492	0.009785129	0.011716441	0.016986306	0.015088671	0.016531991	0.020595829	0.014390069	0.016495636	0.017092345	0.017235107	0.022902366	0.017362758	0.016669276	0.010947818
Indoleacetic acid	0.019664505	0.018990048	0.018840027	0.018372634	0.01844416	0.017612531	0.001571646	0.001631052	0.001582501	0.002483147	0.003026719	0.002509369	0.00290347	0.002337641	0.002934745	0.003331019	0.003159378	0.002938363	0.003202166	0.002431255	0.001824061
N-ethyl arachidonoyl amine	0.052365441	0.05114118	0.047195013	0.054043912	0.054510241	0.049789826	0.003389197	0.004509414	0.004010759	0.008048128	0.010190981	0.006664027	0.007159784	0.005449568	0.007358242	0.011299902	0.009132616	0.008178068	0.009638171	0.006841001	0.00513821
N-butyl arachidonoyl amine	0.014645615	0.01428094	0.014674192	0.016319852	0.015805026	0.01497136	0.00149264	0.001668385	0.00183497	0.002275767	0.002007136	0.001937598	0.002291023	0.001875387	0.001883439	0.002345338	0.001950323	0.001895214	0.002528459	0.002601459	0.001484816
PC(O-14:0/O-1:0)	0.04302422	0.041498386	0.04237737	0.044721397	0.040555182	0.04571595	0.003691207	0.003488746	0.003243325	0.006200204	0.007736558	0.003796681	0.005209519	0.004217948	0.007120576	0.006694355	0.00632912	0.007791841	0.008158115	0.00457668	0.004418205
Uracil	0.009931318	0.009495765	0.009510545	0.009402349	0.009942623	0.009739362	0.001126843	0.001011191	0.000932071	0.001446393	0.001300942	0.001386056	0.001440496	0.001126926	0.001287872	0.001382046	0.001095769	0.001605206	0.001534837	0.001517445	0.000845253
Megatomic acid	0.003084606	0.002963482	0.002544408	0.002278707	0.003112683	0.002301155	0.000191318	0.000158383	0.000199046	0.000418446	0.000516037	0.000343125	0.000449943	0.000339227	0.000335996	0.000350732	0.000385241	0.000597587	0.000679221	0.000306685	0.000214114
PC(16:1(9Z)/18:0)	13.41636464	13.37248594	13.48901656	13.88313735	14.12388878	13.96261043	1.423602993	0.826500354	1.305849509	2.112832966	1.952631586	1.195174431	1.5949492	1.553633666	1.687381069	1.641888381	1.411963471	1.625313642	1.994978426	1.556548623	1.383566588
SM(d17:1/24:0)	0.008775287	0.009863209	0.009251338	0.00727332	0.008145782	0.009787786	0.0009656	0.00082774	0.000694536	0.001069866	0.000951051	0.000928089	0.001576093	0.000795052	0.00089272	0.000880925	0.001004498	0.001475633	0.001239506	0.001039591	0.00072582
"PI(19:0/22:2(13Z,16Z))"	0.005387855	0.0060462	0.006131015	0.005243785	0.005170682	0.00463671	0.000453325	0.000432992	0.000584504	0.000607959	0.000823634	0.000567608	0.000655725	0.000581123	0.000806364	0.000850127	0.000732569	0.000667241	0.000786303	0.000691843	0.000525731
LysoPA(24:1(15Z)/0:0)	0.832036405	0.931562157	0.941128052	0.99273766	0.99697966	1.096177496	0.050069607	0.096958837	0.072251932	0.144078112	0.129875979	0.127577781	0.159061361	0.117305321	0.165454184	0.175953902	0.107854483	0.144302391	0.152343182	0.138798902	0.086677756
Glutamyl-Hydroxyproline	0.042261143	0.041450629	0.040368101	0.041167855	0.037600735	0.039219532	0.003941793	0.004056833	0.003580947	0.005673973	0.005124504	0.004319138	0.004518945	0.00391509	0.004950803	0.00500997	0.004627588	0.005128191	0.005843387	0.004430188	0.003147394
PG(14:1(9Z)/14:1(9Z))	0.004282999	0.005273628	0.005238633	0.005920317	0.005373516	0.005446927	0.000190302	0.000467951	0.000347963	0.000768031	0.000979561	0.00040718	0.000956468	0.000524676	0.000908784	0.001005649	0.000794036	0.001320186	0.001218316	0.000514209	0.000525781
Phe Phe Tyr	0.044045776	0.038797334	0.041011288	0.042626747	0.041649525	0.036884497	0.004803807	0.003793955	0.004608406	0.007446023	0.004190203	0.005003415	0.007384862	0.005688276	0.005648928	0.004715218	0.005168521	0.005976487	0.00611471	0.005597179	0.003204788
TG(15:0/20:0/15:0)	0.016966475	0.01544545	0.016112467	0.020475322	0.022006795	0.020175406	0.001058668	0.001712064	0.00163184	0.002272415	0.001889618	0.002242331	0.004231877	0.00201609	0.002808459	0.002301736	0.003127795	0.004813178	0.003502201	0.00302122	0.001950215
PC(2:0/O-18:0)[U]	0.813690889	0.794797071	0.852925937	0.893661498	0.907935467	0.882103725	0.109814917	0.079209957	0.064236442	0.126577016	0.129275267	0.099798699	0.141381624	0.093779196	0.085607407	0.082912955	0.112472517	0.134541917	0.141098727	0.184974908	0.099939858
"PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	0.203197877	0.205355409	0.220234879	0.218182028	0.215471089	0.212455993	0.019849011	0.011103762	0.015674898	0.027198314	0.023843814	0.019970207	0.030621394	0.016136456	0.018495581	0.017070893	0.019934329	0.031705499	0.020405295	0.023390823	0.016952232
Oleoyl Ethyl Amide	0.105552663	0.108313207	0.111199854	0.11666716	0.111227695	0.106150049	0.013592076	0.009623282	0.008466085	0.018350802	0.015472923	0.010427904	0.013713667	0.014844561	0.016251819	0.019480346	0.011894376	0.013033283	0.019241786	0.016628099	0.008148384
MIPC(d20:0/26:0(2OH))	0.006465202	0.006107894	0.006017111	0.005900007	0.005558836	0.005591406	0.000466564	0.00047614	0.000614509	0.000862191	0.000834549	0.000829076	0.001149241	0.000640439	0.000722227	0.000783483	0.000735287	0.001017764	0.000963919	0.000782995	0.000492697
PI(18:0/0:0)	0.774678596	0.725676778	0.81137218	0.82094378	0.890663179	0.838016215	0.059754592	0.072892162	0.064823141	0.145908656	0.113335777	0.101099195	0.175737826	0.114296272	0.151472008	0.148722852	0.100948573	0.093619016	0.153418731	0.111170522	0.077526997
Glycolaldehyde phosphate	0.090170792	0.089372258	0.090019821	0.084731255	0.077159856	0.079288498	0.00695897	0.007307617	0.00902694	0.012256562	0.011281226	0.011464163	0.014253188	0.009546687	0.010989165	0.011083596	0.010228025	0.013898329	0.011553843	0.011493551	0.007421849
"PIM2(18:0/16:2(9Z,12Z))"	0.017918118	0.016835106	0.019225561	0.018875948	0.019900394	0.017916015	0.001030309	0.001955863	0.001114621	0.002999814	0.003525869	0.002321668	0.003657519	0.002508268	0.001940677	0.003496701	0.0027531	0.002719791	0.004104191	0.002429767	0.001952819
Myristoyl-EA	0.005149607	0.004809994	0.004982778	0.0039949	0.004607117	0.004672568	0.000438476	0.000466015	0.000479992	0.000645821	0.000702615	0.00065107	0.000670435	0.000527091	0.000632519	0.000649782	0.000647923	0.000703981	0.000706221	0.000628864	0.000426816
Trp Val Cys	0.008042288	0.00851332	0.007988221	0.007785777	0.007638978	0.007281372	0.000676007	0.00073433	0.000909827	0.001132108	0.000990445	0.000990292	0.001293754	0.000918179	0.001105571	0.001133788	0.000910273	0.001337725	0.001085476	0.000993128	0.000676481
"LysoPA(18:3(6Z,9Z,12Z)/0:0)"	0.065210404	0.064355307	0.062800457	0.065238113	0.068420749	0.063808724	0.005516249	0.005186528	0.00636327	0.008340209	0.009484887	0.00761968	0.008151338	0.006073879	0.009340945	0.01070363	0.009427175	0.008016988	0.009922403	0.008354278	0.007024843
Cys Asp Asp	0.025241532	0	0.02254805	0	0.019986681	0.021507988	0.002461069	0.00228236	0.00209064	0.003423931	0.003346858	0.003146254	0.003449759	0.002501655	0	0.003335559	0	0.003562717	0.00314759	0.003066744	0.001976043
Octadecylamine	0.013388693	0.01361956	0.01467209	0.014152272	0.014870781	0.014789404	0.001547152	0.001237509	0.001213668	0.002086019	0.001780088	0.001808133	0.002133326	0.001477986	0.001680258	0.001809755	0.001812659	0.001941048	0.00193412	0.001770938	0.001199223
Ricinoleic Acid methyl ester	0.982965759	0.984057537	0.975742457	1.043365479	1.021273702	0.976637237	0.082287295	0.081993691	0.097682127	0.131132685	0.148490999	0.116057489	0.13049744	0.103494287	0.151943361	0.181044752	0.150337507	0.127019779	0.161424352	0.131082422	0.112985031
PC(21:0/26:0)[U]	0.008535784	0.008292431	0.008632457	0.007777564	0.008160049	0.008452317	0.000696992	0.000804259	0.00084093	0.001211089	0.001082669	0.001129559	0.001571276	0.000916507	0.001036007	0.001093242	0.001093594	0.001782496	0.001308219	0.001063507	0.000799664
Pro Thr Phe	0.034998312	0.033388242	0.029221734	0.028273685	0.028399415	0.027731088	0.002168474	0.002562088	0.002747214	0.005063449	0.005401397	0.003731215	0.004817154	0.00367458	0.00419734	0.00447214	0.004794467	0.004706864	0.005917235	0.003203248	0.002710667
Dicrocin	0.183529038	0.19037391	0.189993734	0.197195608	0.198123396	0.202359396	0.019813962	0.020033154	0.017862139	0.025945005	0.02844204	0.025524252	0.027818723	0.024048593	0.020778589	0.018099936	0.03093313	0.026819764	0.024489682	0.027985527	0.016093504
N-Ornithyl-L-taurine	0.345906749	0.337166959	0.293257363	0.351620452	0.349003549	0.314780215	0.026970191	0.033055849	0.032904544	0.042524366	0.038211592	0.045185359	0.053718053	0.039910828	0.042918201	0.045329362	0.044429808	0.05404485	0.046728785	0.045063293	0.029017913
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z))"	0.25362498	0.255905725	0.260400044	0.249053234	0.260840147	0.257342251	0.021965145	0.021776344	0.022450031	0.03934669	0.026470435	0.03902178	0.049026396	0.025769488	0.037344225	0.024731515	0.034575996	0.042878673	0.036917912	0.037231992	0.019230546
D-Serine	0.011704234	0.011923649	0.012581273	0.012717668	0.012221189	0.010578132	0.000988029	0.000928107	0.00096182	0.0015981	0.00167751	0.001657218	0.001864578	0.001292228	0.001507852	0.001886454	0.001599058	0.001793248	0.001694818	0.001532101	0.000882783
Asp Leu Arg	0.024499797	0.025243955	0.02365622	0.02371183	0.024369217	0.025031134	0.000997689	0.002337955	0.001456649	0.002975186	0.005976561	0.002838772	0.004749773	0.003137241	0.003314762	0.002414269	0.005811471	0.004823698	0.005287252	0.003633732	0.002634814
Hypoxanthine	1.196574674	1.256880127	1.292288678	1.235929292	1.386405744	1.287757895	0.089847687	0.107304258	0.114480891	0.148262331	0.19864053	0.142372204	0.226281959	0.1701084	0.165344299	0.178287582	0.202903215	0.228927041	0.220919494	0.158951535	0.140403646
"PIM2(19:2(9Z,12Z)/18:1(9Z))"	0.006018932	0.0055734	0.006354633	0.005868152	0.006451682	0.006405214	0.000464157	0.000699549	0.000677463	0.000899534	0.000756691	0.000835175	0.000985579	0.000596434	0.000835566	0.000735088	0.000757593	0.000896102	0.000916279	0.000873162	0.000616136
PS(O-18:0/0:0)	0.025127827	0.024323813	0.026127493	0.024421906	0.02546961	0.026483902	0.001344843	0.001974154	0.002409335	0.003412528	0.003523178	0.002750535	0.003903088	0.003706713	0.004623654	0.003824817	0.004106138	0.005709196	0.005493118	0.003553384	0.002855269
"PE(18:3(6Z,9Z,12Z)/0:0)"	0.430523345	0.443428961	0.462749104	0.470884296	0.482139184	0.46153897	0.041214637	0.039459993	0.045908986	0.061360752	0.06512791	0.057753732	0.056042504	0.04601463	0.059892152	0.072223819	0.06448576	0.055671281	0.065373548	0.063389315	0.046487629
PC(O-12:0/O-1:0)	1.062413677	1.078433165	1.110189187	1.169910425	1.162857129	1.100470223	0.0695267	0.097732436	0.095436214	0.135271262	0.182827905	0.107055893	0.143368421	0.105181683	0.188182472	0.230106078	0.172083433	0.17415891	0.208642552	0.128605906	0.120731748
N-stearoyl valine	0.185884024	0.185260704	0.190980622	0.188849976	0.188878206	0.189957559	0.017703149	0.01712836	0.017217796	0.026048358	0.02494784	0.025375412	0.028641186	0.021643512	0.022429939	0.024244303	0.024555053	0.024346201	0.025663972	0.02492764	0.01511671
Glutamylserine	0.030415624	0.029309298	0.028454658	0.023090977	0.026068414	0.026894795	0.001894732	0.003592996	0.002594679	0.003778165	0.001898747	0.003236251	0.004998593	0.00307567	0.003631964	0.002642438	0.004266653	0.002954019	0.00354504	0.004455339	0.001971774
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))"	0.01709773	0.017645721	0.01970449	0.015697175	0.018755737	0.022218386	0.002040646	0.001682468	0.001528318	0.002236747	0.002797163	0.002119908	0.002866328	0.001596804	0.001968464	0.002705407	0.002134716	0.003505974	0.002392822	0.002429574	0.001424675
N-docosahexaenoyl GABA	1.114236932	1.179938455	1.192882556	1.28962831	1.277937638	1.230598733	0.105738154	0.103091488	0.123456508	0.159556308	0.182727749	0.146304629	0.152124358	0.124655129	0.172489045	0.214669153	0.181372916	0.147561179	0.183980398	0.166741036	0.134649901
Val Pro Tyr	0.018683385	0.018680837	0.015620757	0.01518167	0.013926426	0.014348871	0.001331222	0.001502518	0.001379821	0.001904416	0.002048314	0.001807509	0.002128149	0.002254181	0.002123231	0.002350616	0.00180264	0.002408883	0.002299289	0.001676215	0.000974578
"PC(20:4(5Z,8Z,11Z,14Z)/0:0)"	2.609156647	2.658995688	2.615363122	2.845661824	2.955794013	2.783552294	0.153530668	0.258634033	0.238724284	0.36484798	0.420254892	0.35683737	0.507686938	0.373665241	0.478656746	0.438362835	0.399785102	0.519726163	0.489949754	0.307270448	0.223596954
PA(O-20:0/15:1(9Z))	0.011017315	0.01306408	0.013107298	0.013503774	0.013543427	0.012741543	0.001292857	0.001304319	0.001011414	0.002603679	0.002630912	0.002121694	0.002152989	0.001037074	0.001551075	0.002512351	0.001250697	0.002418365	0.00193964	0.002002201	0.00091988
CPA(18:1(11Z)/0:0)	0.021696728	0.025606749	0.026839088	0.027757992	0.024421713	0.025005366	0.001739419	0.002353714	0.001882395	0.003454744	0.003750299	0.003569418	0.004662836	0.002893893	0.003951729	0.004195733	0.00384788	0.004725453	0.004009558	0.002998758	0.002241178
Humilixanthin	0.010443149	0.010087192	0.009450402	0.009484688	0.009603076	0.009009765	0.00069819	0.000829601	0.000731869	0.001448411	0.00130865	0.0012771	0.002083094	0.001241127	0.00152316	0.001626285	0.001120207	0.001132136	0.001797356	0.001260976	0.000856996
N-lactoyl-Leucine	0.009449864	0.008562662	0.009063373	0.009288165	0.008616319	0.007598778	0.00038533	0.000595886	0.00058938	0.000938178	0.001584785	0.000892455	0.001477852	0.000933448	0.001090395	0.001775518	0.00236458	0.001738489	0.00173714	0.001181878	0.000964732
Lucidenic acid M	0.270306767	0.279203087	0.282327166	0.300264403	0.297785415	0.281619337	0.017957285	0.024863097	0.024638022	0.034732706	0.046859319	0.02757777	0.036655444	0.027192143	0.047889149	0.057965834	0.044010841	0.043899593	0.052884124	0.031248274	0.030484595
Gly Arg Met	0.147152474	0.143687314	0.133993314	0.131428512	0.130678653	0.128636902	0.009882045	0.012347646	0.01233725	0.022207987	0.026286623	0.017610741	0.022023356	0.016602973	0.019183365	0.020604412	0.021330924	0.022051911	0.025661677	0.014098942	0.012379341
CoA(24:1(15Z))	0.012428412	0.010965725	0.010670402	0.011276568	0.01064454	0.011663438	0.001035899	0.001425845	0.001132378	0.001765549	0.001869582	0.001630402	0.001901211	0.001165438	0.001312823	0.001718943	0.00150025	0.001419846	0.001841398	0.001590697	0.001111732
SM(d18:1/23:0)	0.018625004	0.014423502	0.028405226	0.029468447	0.011953672	0.011399944	0.00223638	0.001629769	0.001271139	0.00227814	0.001579936	0.001872891	0.003110723	0.001549069	0.001974627	0.001925064	0.002021891	0.003274908	0.002221439	0.002403305	0.001441658
Ser Thr Thr	0.196849387	0.195469856	0.2005049	0.206349798	0.212579903	0.201539547	0.017361349	0.020033391	0.015336595	0.027991839	0.026033803	0.027854512	0.037824618	0.022201082	0.023822079	0.024621279	0.023377966	0.036539662	0.025347586	0.026526828	0.012216202
Cys Cys Pro	0.023357306	0.02435366	0.024479611	0.024390545	0.026030376	0.022936972	0.001471733	0.002564282	0.002636637	0.003798668	0.003272088	0.003136302	0.004146553	0.003077085	0.003334175	0.003303132	0.00370064	0.004493034	0.004043405	0.003034683	0.002457322
CL(8:0/8:0/11:0/i-20:0)	0.046609543	0.047228335	0.049413602	0.051216209	0.052330948	0.051351915	0.003516063	0.006068644	0.004829865	0.007947127	0.006585179	0.008125505	0.010079589	0.006020257	0.007633884	0.008613928	0.006649606	0.015191824	0.008488545	0.008217568	0.005037291
SM(d18:1/25:0)	0.032118624	0.03415749	0.033479833	0.036033514	0.037308009	0.036003535	0.002156893	0.003589846	0.003856149	0.005147454	0.003577375	0.004787842	0.008664211	0.004350662	0.005738425	0.004539364	0.006480494	0.009152762	0.007142506	0.005165042	0.004204072
"methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate"	0.013296528	0.014204799	0.013426152	0.014902428	0.014885806	0.013777567	0.000426288	0.001054467	0.000373311	0.002428934	0.001067202	0.001478298	0.001562385	0.002218022	0.002135474	0.001850217	0.005611321	0.00264715	0.003557308	0.002095106	0.001464176
"PI(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.00874877	0.009190897	0.008878879	0.010410608	0.011356963	0.011330439	0.000908551	0.000833142	0.000775435	0.000964319	0.001133719	0.001154429	0.001490625	0.001223876	0.001647175	0.001646513	0.001105165	0.001627899	0.001540668	0.001264757	0.000787088
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	0.024473673	0.022925077	0.024156542	0.025248552	0.027396926	0.028108353	0.001506263	0.002740828	0.003062367	0.003890376	0.0030095	0.003419231	0.004616864	0.00274564	0.004423525	0.00253938	0.004878605	0.004709926	0.004376887	0.003343877	0.001653687
N-carbamoyl-beta-alaninate	0.019750025	0.019583831	0.01921024	0.01679367	0.019002064	0.016705417	0.001956844	0.001862676	0.001809411	0.002748305	0.002348478	0.002615001	0.00328338	0.001663719	0.002820496	0.002998092	0.002992688	0.003328614	0.002462963	0.00269002	0.001313491
"LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)"	0.211688754	0.212140248	0.215868386	0.217042284	0.231262847	0.217950638	0.013261876	0.019747098	0.019928174	0.030199077	0.031467323	0.02956502	0.038560951	0.029023047	0.036271631	0.031133152	0.030747979	0.035291502	0.035912447	0.025249869	0.018496639
PIM2(16:0/14:0)	0.087693503	0.09471479	0.102165071	0.103530841	0.105683583	0.108359606	0.003959065	0.008856897	0.006499818	0.01319149	0.01788202	0.012045043	0.018615712	0.013684785	0.017319121	0.016507187	0.014058039	0.016557632	0.020024219	0.010508038	0.008677293
"PA(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)"	0.048810699	0.047593595	0.043195821	0.042463944	0.045281491	0.039796267	0.002988899	0.003133865	0.004979489	0.0068198	0.00553378	0.003433669	0.009043669	0.005616069	0.007553191	0.005000516	0.005760843	0.009645863	0.008824469	0.005254644	0.006266675
Pipercyclobutanamide B	0.016064087	0.017888598	0.021020156	0.015416909	0.017052518	0.01559145	0.001617837	0.001700872	0.0016139	0.00248072	0.002590956	0.002393301	0.002405748	0.001695881	0.001969293	0.002340572	0.002848256	0.00252181	0.002302855	0.002293611	0.001278275
Pro Phe Phe	0.006753731	0.007037075	0.006053072	0.007212883	0.007559059	0.005798239	0.000740775	0.000616878	0.000709076	0.00093803	0.000802657	0.000781693	0.000838128	0.000804364	0.000900228	0.001052498	0.000965955	0.000922455	0.000815653	0.001173764	0.000562968
"PIM2(16:0/16:2(9Z,12Z))"	0.042859704	0.043231179	0.045756658	0.04769608	0.045738882	0.041634378	0.002019655	0.003681527	0.003229483	0.006061775	0.007213442	0.006163231	0.007299556	0.005920828	0.005864209	0.008459212	0.006218778	0.006856212	0.008966143	0.006157944	0.004130217
Guanosine	0.013137398	0.01607459	0.012778398	0.013553764	0.015160652	0.013193674	0.000903528	0.001265135	0.001689345	0.001827511	0.00197266	0.001762796	0.002589895	0.001722851	0.001810228	0.002158992	0.002544304	0.002852926	0.002004456	0.002035857	0.001209751
"PS(MonoMe(13,5)/DiMe(9,5))"	0.013619451	0.012969141	0.013758242	0.013010228	0.013186637	0.013879795	0.00097287	0.000965648	0.001218588	0.001675805	0.002181039	0.001201067	0.001521646	0.001221541	0.002226228	0.00264223	0.00204063	0.001568492	0.002331989	0.00177663	0.001550512
Asn Tyr Leu	0.034032645	0.03501271	0.031755616	0.032132747	0.035266962	0.031063919	0.00321998	0.003219486	0.003498989	0.004689855	0.004027989	0.004789861	0.004543156	0.003825825	0.004491836	0.005178322	0.004715171	0.004422668	0.005012337	0.004973532	0.003301037
Nutriacholic acid	3.085770578	3.19755815	3.269807503	3.280111314	3.212628915	3.316334908	0.29996338	0.284253782	0.291232036	0.427547731	0.444729617	0.463707255	0.52360451	0.393581414	0.417265513	0.454483935	0.42004558	0.511830832	0.448958485	0.418431677	0.256708301
Prostaglandin G2 2-glyceryl Ester	0.009824024	0.011172017	0.01125495	0.010961984	0.009433026	0.011610126	0.000984089	0.000875227	0.000852239	0.001470413	0.001388403	0.001366299	0.001401676	0.001167754	0.001254413	0.001208868	0.001156326	0.001765148	0.001319739	0.001292606	0.000682323
"PI(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))"	0.103531266	0.112266832	0.110165686	0.117108695	0.111839732	0.11541171	0.008839621	0.008504407	0.009487716	0.016855817	0.011004187	0.017411617	0.020812449	0.010379335	0.016364504	0.01161864	0.014905204	0.018755826	0.0145142	0.015957605	0.008330767
Melannin	0.01275189	0.012713462	0.011992616	0.01145804	0.014185751	0.014054062	0.001206151	0.001373623	0.001571765	0.001813624	0.001778583	0.001502006	0.002668498	0.000801043	0.002040099	0.002584676	0.002298917	0.00308876	0.001949047	0.001690307	0.000767597
Val Lys Asn	0.141558994	0.138122575	0.12877032	0.121871034	0.11850507	0.116702698	0.008347818	0.012371213	0.01064551	0.015463811	0.018248932	0.01519492	0.01932475	0.014275435	0.015614169	0.017333421	0.014087877	0.02091891	0.017624962	0.012239047	0.009086241
PGH2-EA	0.014706841	0.014735113	0.014722132	0.015330663	0.014494365	0.015004928	0.001451187	0.001321499	0.001340321	0.002010741	0.001969134	0.00207428	0.00248856	0.001898211	0.00189334	0.002051109	0.001738539	0.002300499	0.002043585	0.00182758	0.001211534
"TG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]"	0.013232709	0.012035601	0.012688016	0.013737312	0.012767381	0.009886309	0.001011515	0.00077524	0.001239246	0.001594078	0.001281696	0.001538997	0.0024098	0.001368018	0.001534819	0.001544444	0.001677268	0.002593672	0.001685196	0.001502512	0.001169674
PC(P-17:0/0:0)	0.015603297	0.015429603	0.015450604	0.015312016	0.017075374	0.014908472	0.001863858	0.000999618	0.001149217	0.003185752	0.002968548	0.001768671	0.002105929	0.001837202	0.001840634	0.001735052	0.00143452	0.001973926	0.002903884	0.001958773	0.001018008
DL-2-amino-octanoic acid	0.042556479	0.04428875	0.043055355	0.041857132	0.044278366	0.041179182	0.004517441	0.006982495	0.003244911	0.006506883	0.003078036	0.002602073	0.004198933	0.003189785	0.003262394	0.004806272	0.013600022	0.00486209	0.010611497	0.007614621	0.003571521
Linolenic Acid ethyl ester	1.081102237	1.097058208	1.131980788	1.135605797	1.135902134	1.158420183	0.063801722	0.087423947	0.083795123	0.157369693	0.224024999	0.143189665	0.19206048	0.146137672	0.165823702	0.173377407	0.192795675	0.247804599	0.241594811	0.11070734	0.099158882
NBD-Stearoyl-2-Arachidonoyl-sn-glycerol	0.1353751	0.142670106	0.157137616	0.158330565	0.17565579	0.155603047	0.010697022	0.02031762	0.01412552	0.018071804	0.035538591	0.023231015	0.025837454	0.018755975	0.020530917	0.0277892	0.024272471	0.034566428	0.028640636	0.024851632	0.013924303
PC(O-16:1(9E)/2:0)[U]	25.64266844	26.85529481	25.12520467	28.03839807	28.48567572	26.76550381	1.327307667	2.378530746	2.185602333	3.256271327	4.826734851	3.217521577	5.200798039	3.863840898	5.101442512	4.993552647	4.451310094	5.169099768	5.456795923	2.74498645	2.267699077
"PG(18:3(6Z,9Z,12Z)/0:0)"	0.017573857	0.022158396	0.030325978	0.033363096	0.041386183	0.044448715	0.001504488	0.001512423	0.001877028	0.004079526	0.003620723	0.002400433	0.006892047	0.00538169	0.009036444	0.006543517	0.005031197	0.007748808	0.012121732	0.005426065	0.005914763
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)"	0.213014434	0.217895357	0.220987675	0.228631918	0.231347783	0.225520094	0.019968605	0.016821797	0.025036039	0.033325781	0.024149401	0.016136097	0.038066966	0.02485882	0.02842875	0.022728894	0.031766137	0.033546651	0.035337053	0.025901528	0.029294955
SM(d18:1/26:0)	0.003484622	0.004738037	0.003838312	0.003557428	0.003929795	0.003302925	0.00030383	0.000454855	0.000414299	0.000587244	0.000470415	0.000605906	0.000993428	0.000490405	0.000538882	0.000400692	0.000645853	0.00097836	0.000702914	0.000548335	0.000424423
Asp Cys Tyr	0.007148838	0.007658994	0.006820373	0.008455461	0.006512707	0.007682666	0.000616609	0.000628079	0.000665035	0.001201777	0.001215942	0.00115419	0.001270529	0.000796725	0.00101124	0.001005761	0.001174104	0.001391303	0.001024592	0.000949526	0.000572209
Asp Ser Val	0.071795888	0.065171915	0.075754865	0.066136978	0.066167561	0.066714008	0.005454856	0.006391794	0.006010042	0.012986789	0.01077935	0.009033206	0.014575036	0.009240671	0.012187028	0.012058602	0.008094402	0.007440459	0.012310859	0.008911019	0.006403775
"PA(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))"	0.131698526	0.130734439	0.127841423	0.133077811	0.136471976	0.128584695	0.012043039	0.010889504	0.015633169	0.018689739	0.016683059	0.017530263	0.020888847	0.012561833	0.017822173	0.015438588	0.019893795	0.019790386	0.018546303	0.01682534	0.010402385
IV2Fuc-nLc4Cer	0.019116306	0.018525908	0.01962154	0.017389905	0.018659105	0.014784804	0.001229626	0.001930049	0.001735453	0.002475496	0.002357294	0.002424745	0.003071159	0.002293658	0.002025423	0.001916257	0.001808337	0.002476716	0.002606442	0.00216351	0.001617049
N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide	0.109295817	0.112232442	0.103753845	0.102359463	0.098879963	0.094569372	0.008176091	0.009063884	0.007903959	0.012360899	0.014983462	0.011954001	0.015240034	0.014724898	0.01248526	0.014242166	0.011812005	0.015945605	0.014772853	0.00933842	0.006794308
Glycocholic acid	0.056808639	0.060209565	0.058127486	0.065100437	0.058903376	0.054880414	0.007336998	0.005031567	0.004540437	0.009850883	0.008382344	0.006019706	0.007493207	0.008433077	0.008188778	0.009665697	0.007180592	0.006186455	0.010023858	0.009303808	0.004619437
"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	6.719025887	6.820268107	6.543093616	7.077244165	7.24297317	6.717182013	0.467780235	0.606373527	0.548097592	1.039099862	1.239277449	0.918128215	0.980854933	0.705259417	0.953672597	1.334545844	1.113199049	0.833247351	1.237339285	0.949056556	0.734728405
LacCer(d18:1/14:0)	4.239205282	4.055572241	4.2233784	4.441139422	4.496149715	4.257388037	0.329385029	0.46485215	0.353793935	0.755491194	0.552139495	0.626055583	0.563589528	0.465617643	0.495983187	0.65843882	0.549088304	0.565756246	0.559883626	0.622104969	0.3319165
"PC(20:3(5Z,8Z,11Z)/16:0)"	50.48034157	50.98049028	50.81845086	51.90178142	52.20827404	50.75296604	4.814878294	4.664466679	4.178476386	8.151313128	6.709902456	7.231892052	7.480253619	6.298866562	5.887301142	6.814695659	5.711840141	6.467551617	6.412751395	7.503329567	3.731554232
Tumonoic Acid G	0.018438722	0.017306657	0.01864292	0.019414084	0.01850857	0.01850192	0.000866191	0.001635734	0.001672192	0.002188661	0.003278185	0.001512373	0.003187159	0.002196397	0.003643472	0.003869031	0.003328096	0.003177798	0.003649424	0.00196042	0.002157036
Cys Cys Met	0.028900021	0.035413578	0.030018766	0.027880888	0.028019542	0.028802568	0.002008399	0.004444756	0.003639843	0.004751228	0.002533822	0.003848947	0.006820942	0.003301841	0.004048769	0.003383314	0.004598883	0.004052199	0.004082252	0.004619168	0.002566272
Thr Lys Thr	0.175296446	0.183569689	0.178190531	0.191134969	0.164482523	0.181181535	0.015407985	0.016996256	0.017753024	0.023766125	0.024520098	0.026715722	0.031089317	0.021406271	0.030180735	0.030375846	0.025448519	0.026100737	0.03121402	0.023440535	0.014038582
Gln Lys Met	0.006373851	0.005627936	0.006572159	0.007208969	0.006971424	0.006479517	0.000690408	0.000506005	0.000636243	0.000805435	0.000787951	0.00088196	0.001009646	0.000755213	0.000853659	0.000991064	0.000682737	0.00105263	0.000878347	0.000832503	0.000610652
DHA	0.05878423	0.06011345	0.063469986	0.068123258	0.064308419	0.063042403	0.002831349	0.003639929	0.004719478	0.008324152	0.010162896	0.005358792	0.009266867	0.00754792	0.00882759	0.009849995	0.006903642	0.01183112	0.011652249	0.004859607	0.005899904
"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	0.00801531	0.008426435	0.009993887	0.007727637	0.007577289	0.006859937	0.000651963	0.000680113	0.000746394	0.001187968	0.000824624	0.00117492	0.002539675	0.00084466	0.001257804	0.00120063	0.001334294	0.002154393	0.001186595	0.001132424	0.000787351
Suillin	0.034397987	0.035211835	0.036680144	0.036411471	0.035216349	0.035008278	0.003751976	0.002681384	0.002932445	0.00536327	0.004301758	0.004365722	0.005915249	0.004321164	0.004679476	0.004640777	0.004414466	0.009165999	0.00462382	0.004143767	0.002834004
"PA(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))"	0.037691626	0.036810242	0.037805863	0.038746221	0.038953433	0.03939229	0.003608595	0.002686703	0.004431964	0.004359865	0.004678463	0.003759279	0.006696554	0.00369656	0.004940292	0.004449654	0.006143944	0.006190328	0.005759806	0.004027701	0.00333528
"PS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.261140811	0.279860898	0.295530463	0.318888464	0.344708561	0.3135083	0.021291445	0.04058378	0.02842612	0.034220107	0.069909839	0.045959555	0.050533955	0.03759411	0.039074517	0.054644323	0.04675433	0.068070688	0.055326701	0.046121108	0.026492315
PS(20:1(11Z)/0:0)	0.037803811	0.039072456	0.040392132	0.036238451	0.043400896	0.035419827	0.001912979	0.003748655	0.002952	0.004207438	0.00752203	0.004751749	0.007063215	0.006165161	0.005584686	0.006367157	0.007113524	0.005512361	0.0079203	0.004464621	0.003489793
Prolyl-Asparagine	0.007514044	0.007201494	0.007373823	0.008108373	0.008633213	0.00842673	0.000652027	0.000595966	0.000689759	0.000930482	0.001029409	0.001100565	0.001357195	0.000890969	0.000795527	0.001270959	0.00124642	0.001391527	0.001115942	0.001010392	0.000778492
(17Z)-hexacosenoyl-CoA	0.009691891	0.010011234	0.010139497	0.010889612	0.01031142	0.008501905	0.000833216	0.000931997	0.001106019	0.001475751	0.000988596	0.001371822	0.001672039	0.000850124	0.001416894	0.001080042	0.001198168	0.001295744	0.001310106	0.001318976	0.00090432
LacCer(d18:0/14:0)	1.091198859	1.090644441	1.109013064	1.125932409	1.149672061	1.100768059	0.095006831	0.112323042	0.09453463	0.183798187	0.153633098	0.149474738	0.134656199	0.113713458	0.113033014	0.158849238	0.143065116	0.144069758	0.138519108	0.138427602	0.081827609
PIP(18:1(9Z)/18:0)	0.310637954	0.309764079	0.313617003	0.328552276	0.33414891	0.323821021	0.032014447	0.035508071	0.022742455	0.045571859	0.04100175	0.043287805	0.051115975	0.042581957	0.035889995	0.037651374	0.03430155	0.034859613	0.044999697	0.048163342	0.026164804
CPA(18:0/0:0)	0.015910399	0.017101129	0.016712987	0.018521873	0.017768498	0.017595705	0.001942204	0.001435904	0.001333916	0.002722931	0.002104881	0.001615419	0.002212191	0.00238383	0.002357421	0.002709664	0.001903022	0.00154183	0.002782511	0.002411026	0.001375123
"PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))"	0.026926284	0.027388169	0.024678568	0.024847342	0.02441245	0.023041211	0.001932992	0.002297116	0.002066703	0.00345516	0.002625118	0.003512642	0.006040272	0.002751588	0.003663385	0.003181547	0.003153835	0.005415775	0.003218357	0.003273367	0.00251001
Isorhamnetin 3-(6''-galloylglucoside)	0.14718825	0.147043029	0.142941426	0.138204729	0.14422613	0.139648314	0.007853185	0.017536203	0.015130945	0.020182446	0.01153465	0.019980219	0.034060934	0.01541952	0.01836677	0.021596663	0.032625798	0.021311724	0.019032132	0.02080044	0.010294569
Palmitoleamide	0.014378773	0.014491612	0.015086744	0.015599803	0.016556049	0.014964914	0.001538366	0.001488125	0.001530113	0.002157904	0.00188974	0.001908197	0.002090074	0.00158592	0.001781813	0.002244933	0.001803882	0.001628408	0.002194834	0.001965349	0.001320721
N-Acetyl-D-galactosaminyldiphosphoundecaprenol	0.100674853	0.097803481	0.102458414	0.105670495	0.106212356	0.104346973	0.006312781	0.006654375	0.008077804	0.014231227	0.025996806	0.013254945	0.017894579	0.014813377	0.021784086	0.020416568	0.025006756	0.018646293	0.024061542	0.010400098	0.010566634
O-Arachidonoyl Ethanolamine	0.023278902	0.023976402	0.023610325	0.0249875	0.020995854	0.022755196	0.001445169	0.001719702	0.001647525	0.003114416	0.004634827	0.00320129	0.004408593	0.003123852	0.003828369	0.003752531	0.004270438	0.005624864	0.005188992	0.002123457	0.001831413
"PS(20:3(5Z,8Z,11Z)/20:1(11Z))"	0.035076666	0.037751561	0.039178364	0.034734138	0.047125289	0.040825104	0.002644953	0.004888479	0.003782052	0.005269152	0.010136796	0.006721493	0.008228252	0.00607587	0.004313192	0.006421248	0.007737393	0.006591189	0.007969273	0.005849639	0.003521096
PG(16:0/0:0)[U]	0.023076941	0.023701101	0.033369296	0.038798105	0.04695849	0.045529911	0.001742447	0.001710559	0.002415406	0.003885742	0.004543179	0.002550708	0.006734784	0.005919205	0.009818758	0.007994005	0.005843336	0.008538845	0.013032479	0.005661126	0.006206512
PC(20:0/16:0)	4.549809409	4.546813688	4.539755069	4.555306451	4.651015485	4.565163443	0.462796647	0.497943078	0.332588473	0.776074647	0.532356394	0.519508976	0.466426823	0.449566259	0.469623978	0.632887105	0.402778573	0.570602162	0.560248135	0.62397884	0.277053644
"PI(18:3(9Z,12Z,15Z)/0:0)"	0.018551614	0.019572006	0.018502548	0.016069172	0.014710437	0.017415264	0.001083258	0.001631656	0.001690007	0.002569689	0.002457123	0.001897306	0.002583541	0.001678856	0.002524978	0.002217612	0.00188116	0.002335803	0.002121345	0.001554986	0.001256719
TG(8:0/8:0/8:0)	0.009320701	0.008365072	0.007503873	0.008204873	0.009252102	0.007440974	0.000435088	0.0006468	0.00037886	0.001134389	0.001463265	0.001221128	0.00132406	0.001142617	0.00149708	0.002159759	0.001378795	0.001221331	0.001966201	0.001348007	0.000934207
Staurosporine;STS	0.030715371	0.038334608	0.03489506	0.035079813	0.038991204	0.038623777	0.00382007	0.003659118	0.004168499	0.005293386	0.004376516	0.004770931	0.005198092	0.004282216	0.004244465	0.00549131	0.004369532	0.006677089	0.005545512	0.011650999	0.003388912
"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.007513955	0.00601995	0.008101772	0.006850938	0.006109875	0.006819289	0.000506157	0.000434283	0.000696532	0.000914658	0.000724336	0.000953688	0.001360134	0.000920115	0.000869738	0.000693322	0.000861179	0.001435852	0.00106851	0.000748638	0.000537537
N(8)-Acetylspermidinium	0.0041727	0.003067069	0.003885961	0.003681486	0.003837109	0.004295336	0.000270198	0.000327943	0.000377107	0.000603873	0.000797979	0.000523483	0.000707527	0.00045879	0.00057599	0.000495556	0.000741728	0.001154842	0.000877873	0.000398533	0.000377326
"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside"	0.663553909	0.67973355	0.660367943	0.663520195	0.685050042	0.665758863	0.034878976	0.080794494	0.06974734	0.094596938	0.054522427	0.09319761	0.158552868	0.073829769	0.086440277	0.098987952	0.151805083	0.098185586	0.087416184	0.095859344	0.048558361
PC(O-15:0/2:0)[U]	1.30409519	1.341436129	1.414631993	1.432980194	1.466091944	1.379032596	0.063458522	0.115042258	0.062589192	0.191324386	0.21232836	0.19972732	0.195716348	0.157786899	0.251387365	0.311317202	0.215122241	0.196515019	0.28107761	0.214439602	0.146925253
"PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	0.05660838	0.06015125	0.059341437	0.062043011	0.064319767	0.066192907	0.002877219	0.004554162	0.005069422	0.009886646	0.009456568	0.005387791	0.012004933	0.007112629	0.013590071	0.012106155	0.008798885	0.006397874	0.0176446	0.01011659	0.008862387
"PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))"	0.649168022	0.611584198	0.687439708	0.646441731	0.618335825	0.630945063	0.071156794	0.046969721	0.062952426	0.091604481	0.079355284	0.084342325	0.079477257	0.053529173	0.071128447	0.079611828	0.125744648	0.114607449	0.09996818	0.07897203	0.049411119
NeuAcalpha2-3Galbeta-Cer(d18:1/18:0)	0.508263185	0.512638431	0.553474777	0.522935908	0.571076292	0.547850113	0.014008942	0.037978633	0.030112158	0.076090253	0.122614789	0.02320132	0.123368931	0.070709176	0.131296167	0.130910608	0.09622031	0.083132457	0.172825052	0.044561201	0.083556173
Uridine 5'-diphosphate	0.003616306	0.003488992	0.002592067	0.003438626	0.003510548	0.002948052	0.000159151	0.000300453	0.000287589	0.00035991	0.000301872	0.000369727	0.000712357	0.000312476	0.000464268	0.000456262	0.000500711	0.000916591	0.00046401	0.000358743	0.000279337
Tyr Leu Tyr	0.004577123	0.004061029	0.005057842	0.005192337	0.005399528	0.005685463	0.000247174	0.000198607	0.000317225	0.000802072	0.000645189	0.000518595	0.001299747	0.000851604	0.000730522	0.00043554	0.001055508	0.001463159	0.000854373	0.00071255	0.000949231
Vulgaxanthin II	0.007585607	0.007784662	0.008332402	0.007805522	0.007772574	0.007655501	0.000746476	0.000736524	0.000774053	0.001053454	0.000963909	0.001119515	0.001054482	0.000841975	0.000966834	0.00089139	0.000829824	0.001234879	0.001065214	0.001043768	0.000561975
PA(P-16:0/17:0)	0.04623451	0.047362936	0.047511538	0.047810234	0.047851393	0.045049936	0.004350337	0.004744667	0.003942784	0.006406006	0.005696449	0.007346428	0.007147004	0.005283575	0.005807594	0.006422986	0.005525465	0.006544118	0.006479165	0.006839111	0.00402639
PGF2alpha isopropyl ester	0.15915594	0.160313576	0.16826509	0.164911987	0.16561955	0.158249821	0.014260919	0.014599398	0.014547334	0.021381974	0.024065127	0.024156958	0.025785194	0.019666344	0.019506006	0.022731947	0.021364484	0.026940146	0.020655066	0.020742103	0.012470662
"PC(16:0/20:4), 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine, PAPC "	29.13081154	29.7929078	32.19061689	30.10108058	31.40917194	31.76330416	2.934244875	2.172137439	2.847075044	4.759665965	3.91243536	4.518429835	5.292226097	3.580349256	4.257015118	3.543837565	3.655593625	4.52851756	3.580850858	4.225052327	2.319310329
PA(O-16:0/0:0)	0.053992156	0.077644539	0.058687217	0.060585155	0.061680176	0.054727967	0.005062407	0.007630415	0.007470271	0.009459183	0.00880063	0.008895351	0.010278103	0.008239652	0.009665319	0.011301195	0.008844303	0.009427606	0.010628157	0.007355191	0.005634277
Gln His Asn	0.007261251	0.007005723	0.007255985	0.008918005	0.008038425	0.009446549	0.000624978	0.000482387	0.000755262	0.000919705	0.00122368	0.001356684	0.001556611	0.000657588	0.001171228	0.001149361	0.002093227	0.001736152	0.001474637	0.001218568	0.000641043
"PIP2(18:0/16:2(9Z,12Z))"	0.020576945	0.025953024	0.024081171	0.02321523	0.02779482	0.023157972	0.001946333	0.002187364	0.002243546	0.004306213	0.002724764	0.0033998	0.004023166	0.00252809	0.002996885	0.003033724	0.003121887	0.003713421	0.002817695	0.002727356	0.00185376
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	0.106447811	0.119598326	0.09609617	0.096151388	0.094980718	0.095448157	0.007096617	0.010953749	0.006614089	0.016654208	0.010955401	0.015123591	0.016157311	0.009694469	0.009141392	0.012215929	0.010631141	0.010119586	0.013657448	0.015442617	0.007541522
Oxidized glutathione	0.235123468	0.243073224	0.241323174	0.230485162	0.247715012	0.242094102	0.013869475	0.033470063	0.028265494	0.031440531	0.018817878	0.033865905	0.053892139	0.024201767	0.026647427	0.034794769	0.050725853	0.046319056	0.029275355	0.037015462	0.014947132
PA(P-16:0/15:0)	0.016675989	0.020400465	0.017844	0.017333734	0.018053261	0.016723244	0.001932958	0.00145827	0.002133968	0.002655434	0.002109841	0.002415339	0.003034595	0.001684858	0.002217204	0.001933713	0.002714333	0.002617734	0.002194001	0.002510301	0.001470795
N-stearoyl tyrosine	0.198080207	0.194858232	0.201143404	0.205688471	0.21546612	0.207134131	0.012067849	0.020526884	0.012363641	0.022981572	0.040373821	0.03549305	0.044975705	0.023380632	0.035230309	0.032365137	0.043796024	0.038818149	0.038762279	0.02471741	0.013540588
Isolauric acid	0.063455944	0.062382713	0.064196893	0.064074921	0.06185199	0.067213619	0.005109913	0.006117015	0.006262196	0.009827865	0.010744456	0.010279885	0.010859961	0.008450653	0.011462277	0.010933279	0.010337564	0.00905909	0.01174448	0.007835207	0.005374754
Isotridecanoic acid	0.021507659	0.008896629	0.021412893	0.022285419	0.007828232	0.009040561	0.001213124	0.001724896	0.001643477	0.003286165	0.004495504	0.002697603	0.0039929	0.00308405	0.003376705	0.003348081	0.003944494	0.002465327	0.004888861	0.002099595	0.001918557
Pinolenic Acid	0.011270414	0.00977931	0.011873255	0.011960556	0.008006886	0.010215294	0.000987078	0.000894592	0.000815698	0.001232364	0.001619593	0.001401051	0.0015512	0.001158991	0.001632904	0.001634122	0.001366023	0.001543484	0.001450994	0.001163032	0.000657964
Lys Ser Val	0.074819787	0.07226079	0.070049931	0.066425659	0.060425102	0.06341109	0.007373743	0.006745509	0.006279157	0.009730225	0.009439065	0.009355255	0.010547766	0.008089572	0.008410556	0.009149965	0.008489228	0.008869668	0.008954166	0.008487286	0.005171075
"PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.328010461	0.326726171	0.335523006	0.339332367	0.350846295	0.336373845	0.029871409	0.029978761	0.029297374	0.054229705	0.04397539	0.052641369	0.045834335	0.041006415	0.037449759	0.042916747	0.042710852	0.041568127	0.046824996	0.058555209	0.027567564
N-stearoyl arginine	0.058303802	0.056848665	0.059411744	0.060092293	0.062363975	0.061201289	0.003565329	0.006075409	0.003536529	0.006622569	0.0117997	0.010587975	0.013099365	0.006758332	0.010498101	0.009562737	0.012897101	0.011321538	0.011283471	0.007361503	0.003911096
Ribose-1-arsenate	0.014303934	0.016653021	0.012602585	0.013188432	0.013435756	0.011701343	0.0010719	0.000983829	0.001412042	0.001580501	0.00148529	0.001793413	0.002103963	0.001396217	0.001610349	0.001848154	0.001928648	0.002496356	0.001742969	0.001634805	0.001055635
"PA(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))"	0.06495484	0.063738084	0.056118747	0.063041319	0.064382417	0.061373069	0.006374838	0.007132451	0.006708139	0.008024166	0.008150009	0.009605161	0.009931822	0.006928458	0.007145928	0.008114195	0.008650683	0.011129713	0.008983021	0.008864512	0.006031232
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))"	0.338454516	0.316831323	0.364344646	0.340595621	0.354233139	0.313310627	0.022743605	0.019122549	0.031513259	0.055048986	0.058581508	0.057436027	0.052698958	0.057584432	0.055126935	0.05881288	0.051474028	0.047246805	0.054470866	0.045589857	0.021459976
TG(18:0/14:1(9Z)/18:0)	0.028603278	0.033593712	0.031093599	0.026859167	0.021939171	0.023176391	0.002735099	0.001320366	0.000927575	0.002342586	0.001045855	0.001014892	0.002576019	0.001119186	0.002020918	0.00141258	0.001266393	0.002211642	0.002413423	0.001864248	0.000977712
Trp Ser Ser	0.006818759	0.006676635	0.005157942	0.005740078	0.00554148	0.005853959	0.000469188	0.000500155	0.00042963	0.000683136	0.000833311	0.000704379	0.000837148	0.000733866	0.000742242	0.000795035	0.000804945	0.001283111	0.000893372	0.0005192	0.000383803
Filicin;Filixic acid BBB	0.018996111	0.018549139	0.019269542	0.01552853	0.01984825	0.016358707	0.001128075	0.001708694	0.001542204	0.002205818	0.003610027	0.001172444	0.004961109	0.001439554	0.001739416	0.003742114	0.002684738	0.004266165	0.003900895	0.001221762	0.001727561
"PIP(20:3(8Z,11Z,14Z)/16:0)"	0.018873405	0.017302532	0.017235761	0.017063597	0.016222799	0.016565387	0.001444113	0.001301146	0.001743181	0.002445625	0.003008052	0.001841486	0.001828366	0.001465814	0.002359013	0.00295706	0.002159959	0.001824228	0.002464	0.001923011	0.001635195
Gln Val Lys	0.063746763	0.065630271	0.060408867	0.056451442	0.056797135	0.058732226	0.00631496	0.006102252	0.005666392	0.008628315	0.008057471	0.007859784	0.009130973	0.007016137	0.007279242	0.007364292	0.007091589	0.007026116	0.007777744	0.007464457	0.004377232
"PG(20:4(5Z,8Z,11Z,14Z)/0:0)"	0.018604158	0.020614231	0.024066983	0.030123108	0.03832542	0.039008218	0.001155446	0.00155375	0.002157016	0.003921988	0.00468707	0.002239282	0.006934794	0.003442448	0.005897022	0.005162316	0.006636674	0.009658615	0.008990208	0.002463897	0.004340354
Coproporphyrin IV	0.026231271	0.026268913	0.027956726	0.026467578	0.027255416	0.027591497	0.002966559	0.002919162	0.002606894	0.003579483	0.004182452	0.003942723	0.003776668	0.00317849	0.002983081	0.002411456	0.004581375	0.003905712	0.003589082	0.003957666	0.002203029
Valyl-Arginine	0.008033355	0.007235609	0.007526345	0.008341265	0.007537824	0.00829371	0.000543965	0.000776402	0.000697403	0.001120828	0.001357043	0.001366598	0.001499845	0.001076915	0.001080659	0.001177819	0.001418402	0.001492203	0.001368341	0.000912636	0.000584218
TyrMe-Met-OH	0.008211055	0.007687391	0.007630002	0.007219896	0.007027562	0.006599816	0.000693964	0.000645132	0.000517492	0.000966331	0.000911864	0.000997174	0.001120604	0.000803979	0.00104071	0.000919833	0.000984602	0.001427508	0.000834084	0.000837241	0.000491575
Estradiol acetate	0.056268039	0.058786188	0.062526263	0.107719892	0.138216589	0.138343853	0.004258547	0.004847333	0.00461809	0.006731845	0.008762438	0.007867406	0.011621712	0.009249374	0.010967351	0.014142404	0.013565333	0.021648812	0.018000107	0.0117025	0.01008738
Val Leu Phe	0.018576954	0.018723365	0.020179835	0.023806334	0.027650676	0.027935011	0.001107557	0.001137984	0.001608775	0.002340076	0.00326486	0.003098673	0.004041216	0.002504204	0.00246365	0.002322149	0.004010124	0.004574265	0.003768836	0.00250981	0.002082751
PS(8:0/8:0)	0.026514684	0.024469998	0.021923978	0.024904687	0.025676941	0.021150749	0.001710389	0.001706928	0.001760557	0.002865069	0.00398662	0.003033898	0.003448066	0.002299801	0.004061046	0.004411007	0.004861224	0.003052595	0.0044483	0.00278527	0.002657761
N-palmitoyl glutamine	0.011971366	0.012862825	0.013005757	0.012603274	0.015233741	0.012949408	0.000849056	0.000791849	0.001553185	0.001619378	0.002717512	0.001797924	0.003067612	0.001571152	0.00180653	0.001732051	0.002612293	0.002777712	0.002574508	0.001436956	0.001056645
Cyclic AMP	0.006133104	0.006622042	0.005974857	0.005591983	0.005531874	0.00580067	0.000549572	0.000569537	0.000727335	0.000706491	0.000908825	0.000930714	0.001321564	0.000595173	0.000606332	0.001014665	0.001366295	0.001195487	0.00091837	0.000988671	0.000479963
Cytidine monophosphate N-acetylneuraminic acid	0.275100943	0.294790313	0.287054759	0.275873193	0.292988047	0.286359447	0.017820657	0.034648702	0.031789133	0.042854604	0.025604654	0.042898378	0.056559983	0.033004329	0.038570385	0.033608974	0.049482173	0.040568863	0.038273277	0.039850809	0.024520442
Pantetheine 4'-phosphate	0.075954691	0.062674743	0.059585656	0.061001351	0.065366789	0.060152768	0.001383398	0.00427416	0.005093712	0.008675954	0.010115782	0.00342289	0.01382237	0.010174206	0.007889889	0.004655085	0.013443604	0.007734381	0.016141488	0.007267372	0.009459963
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)"	15.13561827	15.27489411	15.57810087	15.93345226	16.24211809	15.827998	1.266383369	1.358099341	1.541211881	2.270752818	2.054762977	2.204978693	2.214120824	1.787245118	2.091865872	2.193541833	2.009124833	2.123421589	1.966237057	1.794022941	1.318326587
PIP3(16:0/18:1(9Z))	0.024618419	0.02206234	0.023382495	0.022669775	0.019655962	0.02105841	0.002235273	0.00220529	0.002413217	0.003071202	0.002930033	0.002889941	0.003547874	0.002343272	0.002583296	0.002681563	0.0029758	0.002954188	0.002713987	0.002583005	0.001918216
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	0.115359121	0.108045092	0.123278623	0.102482905	0.117438571	0.110976954	0.008184139	0.006065315	0.011271339	0.020778151	0.019474312	0.017052213	0.015203777	0.019175348	0.018449083	0.018135663	0.014778059	0.013285571	0.018901767	0.014891709	0.008083892
"PC(19:3(10Z,13Z,16Z)/0:0)"	0.125836373	0.130489327	0.154423234	0.149685767	0.163957059	0.16897165	0.005887546	0.011519214	0.005903138	0.020501895	0.026659131	0.020331845	0.021478116	0.016206314	0.030228123	0.035997957	0.025541355	0.019918503	0.033865719	0.0209118	0.017881156
Congmunoside XIV	0.010973922	0.013340876	0.01279358	0.014113194	0.012587492	0.01343361	0.000582123	0.000963944	0.001017112	0.00148573	0.002172725	0.001213468	0.001927013	0.001563114	0.002143438	0.001912136	0.001654036	0.002152833	0.002108804	0.001015474	0.001265485
"PS(22:4(7Z,10Z,13Z,16Z)/17:2(9Z,12Z))"	0.195442469	0.193699387	0.194488492	0.202149506	0.206408271	0.195759274	0.01516448	0.016386539	0.019273355	0.033930879	0.034698236	0.027406809	0.02595304	0.03030426	0.031440997	0.035462484	0.025631349	0.021868851	0.030939484	0.023892024	0.013631677
PC(O-12:0/2:0)[U]	0.331813912	0.338608022	0.345264264	0.369696858	0.379521949	0.371052044	0.018158687	0.024050535	0.034648279	0.040988733	0.06247398	0.021908627	0.056105667	0.044793648	0.071996474	0.082221471	0.070559426	0.055543055	0.082477604	0.0373722	0.048696564
"ent-Cassa-12,15-dien-2beta-ol"	0.118286299	0.120197134	0.124651306	0.124558583	0.128322053	0.130486787	0.007124728	0.00927944	0.00990331	0.016885199	0.026164848	0.016123817	0.019964268	0.016268533	0.018771458	0.020694805	0.022808734	0.033569391	0.026193167	0.011729916	0.012878343
"Octadeca-8,10,12-triynoic acid"	0.043308134	0.041292926	0.043488633	0.043481311	0.042900332	0.043813314	0.002787061	0.00387106	0.003361467	0.00611747	0.007533931	0.007610104	0.007764689	0.005598738	0.005911431	0.006511025	0.007955445	0.006122601	0.007672717	0.005132013	0.002945264
Phenylephrine 3-O-glucuronide	0.033235622	0.034822493	0.034170446	0.036048647	0.039705816	0.042167895	0.007244673	0.003446419	0.003388213	0.005731904	0.004480475	0.004357951	0.005275921	0.003834009	0.00403471	0.005140964	0.004498062	0.004866177	0.005623545	0.005241138	0.003090153
"TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))"	0.013173843	0.012166783	0.011591704	0.009344223	0.008666679	0.012044691	0.001836196	0.000881555	0.000755879	0.001145534	0.0009626	0.001101023	0.001519335	0.000957547	0.000915317	0.000821279	0.00083113	0.001635306	0.001245897	0.001318219	0.000618737
Lys Glu Thr	0.014358588	0.013913907	0.012743961	0.012273694	0.012317469	0.012848991	0.001584936	0.001392738	0.001392465	0.001947592	0.001429086	0.002108288	0.001766397	0.001264406	0.001438172	0.001524343	0.001510096	0.001854595	0.001552705	0.002014027	0.000951248
Glu Gln Val	0.01007471	0.010927063	0.009801502	0.011823809	0.011054665	0.009009078	0.001412465	0.00119379	0.001143436	0.001510741	0.000840419	0.001700482	0.001583494	0.00126768	0.000958236	0.001152362	0.001231936	0.001480429	0.001673542	0.001919997	0.000968459
"hexadeca-7,11-dien-1-ol"	0.023950158	0.021164289	0.017650221	0.019952409	0.019185714	0.017017437	0.002270187	0.001978099	0.002257026	0.002853273	0.002402485	0.002741985	0.00283161	0.00210989	0.002375215	0.002652079	0.002717378	0.002524869	0.002526071	0.002836155	0.001695926
L-Tyrosine	0.072131738	0.076267507	0.077090104	0.068792418	0.080631643	0.076448985	0.006645758	0.00649328	0.009745336	0.011405272	0.008293927	0.015948346	0.009784075	0.007857542	0.008553838	0.010024696	0.013759551	0.012709394	0.009652052	0.009351307	0.006826865
PG(P-20:0/14:1(9Z))	0.017636436	0.019095144	0.01904881	0.017547198	0.021566885	0.019452593	0.003003779	0.002040302	0.002064829	0.002946518	0.002423752	0.002745189	0.002569505	0.002010197	0.002383264	0.002241124	0.002526223	0.00257179	0.002699899	0.002536904	0.001559788
N-Acetylaspartylglutamic acid	0.014223216	0.015040824	0.01250067	0.01337382	0.013667127	0.013133524	0.001718887	0.001613157	0.001495885	0.002261367	0.001471943	0.002071193	0.002153292	0.001563482	0.001483345	0.001457294	0.001511405	0.002113595	0.001519416	0.002195309	0.001192419
"PA(17:2(9Z,12Z)/12:0)"	0.016097947	0.013356937	0.015304284	0.013726124	0.015587539	0.014033814	0.001500257	0.001578417	0.002051464	0.002615125	0.001248153	0.002161438	0.002290528	0.001599778	0.001867301	0.001486476	0.001782373	0.002739277	0.001830174	0.001932355	0.001446954
"MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	0.096345793	0.098156802	0.092806224	0.094994537	0.096445967	0.092812391	0.01349616	0.011339834	0.011263182	0.015565345	0.009779452	0.017816392	0.013379974	0.010415322	0.009050753	0.008908879	0.01172021	0.014346303	0.010307923	0.01559748	0.007237943
Janthitrem F	0.024835681	0.025034239	0.024873759	0.026212477	0.027153118	0.025121723	0.001171676	0.002974128	0.004661945	0.001049897	0.005256782	0.004359201	0.001329686	0.0037325	0.002370039	0.003121522	0.003880187	0.002530074	0.001637805	0.002270549	0.00296184
SM(d17:1/26:1)	0.008755672	0.008689618	0.009588482	0.008516947	0.008143195	0.0066427	0.001261001	0.000523164	0.000495356	0.000796635	0.000537255	0.000585955	0.001058335	0.000531525	0.000806197	0.00059234	0.000519834	0.000901814	0.000949189	0.000669567	0.000492699
PC(16:1(9Z)/14:1(9Z))	0.016903628	0.018073712	0.017369696	0.015824574	0.017992419	0.018010536	0.001548919	0.002200175	0.002710806	0.001941358	0.003228325	0.002513359	0.001928952	0.00290092	0.001924829	0.00328369	0.004327773	0.001454335	0.001871292	0.001294257	0.002722903
PS(18:0/15:0)	0.05709495	0.053157945	0.050368035	0.052706286	0.057420254	0.058076907	0.006133468	0.003630679	0.006213968	0.007785489	0.005692143	0.007685698	0.006933983	0.005502452	0.005155057	0.006585829	0.006302474	0.007233098	0.005850913	0.006026585	0.004103593
Octadecyl fumarate	0.035996562	0.034510649	0.036179559	0.036229366	0.033167328	0.032019731	0.004306018	0.002259986	0.002318493	0.003172367	0.003089789	0.003002721	0.003298924	0.002626811	0.002291655	0.002817886	0.002701217	0.002948367	0.003010829	0.00395358	0.002075229
Ganglioside GM3 (d18:1/16:0)	0.011426623	0.011964126	0.012100669	0.012719705	0.012091513	0.012306639	0.001866217	0.001073045	0.001353886	0.001624424	0.001255098	0.001434442	0.002441883	0.001282716	0.001662723	0.001577098	0.001462601	0.001874775	0.0015875	0.001671937	0.000973974
PE(18:0/14:1(9Z))	0.010195796	0.011473063	0.010668076	0.010094596	0.010122396	0.009034311	0.00135369	0.000978321	0.001040813	0.001441087	0.001245643	0.001295155	0.001376125	0.001157045	0.001225481	0.001471252	0.001392565	0.001992417	0.001366374	0.001374131	0.000860485
Panaxynol linoleate	0.009842711	0.010735591	0.009931227	0.009014137	0.009830661	0.011105418	0.001542992	0.001134156	0.001225232	0.001566382	0.001212001	0.001746754	0.001520994	0.00121187	0.001298485	0.001322387	0.001162898	0.00121994	0.001353567	0.001656271	0.001043904
"PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))"	0.104631208	0.104225533	0.100917964	0.102202202	0.101024407	0.10795234	0.014698506	0.005894479	0.011337502	0.014195491	0.011044741	0.014000014	0.012334105	0.007118585	0.009054959	0.009433068	0.014050711	0.012476178	0.00921892	0.011670175	0.007474848
PI(12:0/13:0)	0.013501631	0.014143688	0.011569961	0.013256982	0.015374253	0.013599317	0.002230719	0.001704369	0.002523971	0.000710874	0.002898168	0.004259792	0.000653197	0.001340786	0.001977035	0.003519072	0.001915262	0.001579196	0.001016008	0.001356832	0.000801807
Moroctic acid	0.006709806	0.006796175	0.005689624	0.0068835	0.006646715	0.006655798	0.00041448	0.000434132	0.000950178	0.00114908	0.000669778	0.00128245	0.001038706	0.000622287	0.00107301	0.000871279	0.001212781	0.002285716	0.000889396	0.00129994	0.000370502
CL(8:0/8:0/i-13:0/i-14:0)	0.04500569	0.043806066	0.041972424	0.036834511	0.039526464	0.04532426	0.004759407	0.003414976	0.003370442	0.006242419	0.003593976	0.005485209	0.00532369	0.003831455	0.005154437	0.00442197	0.003965947	0.006238385	0.003907919	0.006528922	0.002702611
DL-Propargylglycine	0.007286333	0.007871962	0.00771703	0.007798022	0.008632907	0.009238257	0.000537755	0.00088529	0.000706831	0.000535243	0.002171393	0.001714753	0.000883773	0.001189609	0.001128291	0.000773166	0.001156142	0.000731315	0.000751866	0.000972584	0.00099658
Hexacosanoyl-CoA	0.006618688	0.005859874	0.006651732	0.006805892	0.006288739	0.006529047	0.000570879	0.000735562	0.000819922	0.000876896	0.000826367	0.000941076	0.00119581	0.000652541	0.000742343	0.000908457	0.000786389	0.000812114	0.001036075	0.000815431	0.000672529
Palmyramide A	0.011433878	0.010921389	0.011623877	0.012040758	0.011175518	0.012589206	0.000813322	0.002009344	0.001664619	0.000758325	0.001771642	0.001519122	0.000987275	0.001185745	0.001799934	0.001825006	0.00109268	0.000368181	0.001069315	0.001370358	0.001013342
Pitheduloside A	0.266790176	0.273113997	0.276834721	0.284600621	0.292716733	0.282432225	0.02670183	0.024877427	0.037916967	0.04049005	0.037308443	0.035706929	0.042056812	0.030843237	0.034668124	0.040508484	0.039374233	0.037201102	0.039516376	0.035792409	0.023638888
Asn Asn Pro	0.022583559	0.02441738	0.020360865	0.02296145	0.022417519	0.020832135	0.003701278	0.002355553	0.002189524	0.003216014	0.002100477	0.00325892	0.003007893	0.002444955	0.002354369	0.002433395	0.00219775	0.002909355	0.002160192	0.003262581	0.001466574
"PE(18:3(6Z,9Z,12Z)/P-18:0)"	0.023724695	0.024835381	0.021202056	0.020056896	0.01900398	0.022061299	0.001803731	0.001443918	0.002669587	0.004251589	0.002184669	0.003036262	0.003618769	0.001968703	0.002570835	0.001983114	0.002353021	0.002202629	0.002557374	0.002941451	0.001142303
"Cyclic di-3',5'-adenylate;Cyclic di-AMP"	0.010198598	0.009834711	0.010007236	0.009707342	0.010165852	0.008846691	0.000881668	0.001339653	0.001349076	0.001343138	0.001263974	0.001403835	0.001363987	0.000925376	0.001069875	0.001134166	0.001875042	0.00156915	0.001254032	0.001547705	0.000661622
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	RT	m/z	Adduct	PPM.Error	Molecular.Weight	Formula	Kegg	HMDB	LipidMaps	Metlin	PubChem
"PS(22:4(7Z,10Z,13Z,16Z)/0:0)"	6.29	596.2919	M+Na	7	573.306672	C28H48NO9P			LMGP03050014	78841
Phe-Phe-OH	8.56	443.1255	M+Na	10	420.13214	C23H20N2O6				65009
fumarylacetic acid	0.4	159.0291	M+H	2	158.02152	C6H6O5				45910
Val Val Gln	6.55	345.2101	M+H	9	344.20597	C15H28N4O5				15756
Asn Asn Ala	7.29	340.1218	M+Na	3	317.13353	C11H19N5O6				17015
PI-Cer(t20:0/22:0(2OH))	8.57	948.6507	M+Na	0	925.661933	C48H96NO13P			LMSP03030045	103174
Cortisol	4.07	363.2159	M+H	2	362.2093241	C21H30O5	C00735	HMDB0000063	LMST02030001	272	657311
Gln Ala Arg	7.9	374.2145	M+H	0	373.20737	C14H27N7O5				16387
Norlithocholic acid	7.28	363.2897	M+H	1	362.282095	C23H38O3			LMST04060023
Asn His Tyr	5.64	455.1677	M+Na	6	432.17573	C19H24N6O6				16158
"PI(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	7.29	645.3007	M+H	4	644.296168	C31H49O12P			LMGP06050012	81177
"PI(22:0/20:2(11Z,14Z))"	8.57	947.6507	M+H	8	946.651034	C51H95O13P			LMGP06010686	80708
TyrMe-Leu-OH	5.64	453.1673	M+Na	9	430.174	C22H26N2O7				65240
Phe His Glu	5.64	454.1704	M+Na	2	431.18048	C20H25N5O6				15825
"PA(12:0/18:3(6Z,9Z,12Z))"	8.55	637.3892	M+Na	9	614.394759	C33H59O8P			LMGP10010052	81218
"CL(8:0/8:0/8:0/18:2(9Z,11Z))"	7.42	1063.5934	M+Na	7	1040.596626	C51H94O17P2		HMDB0116817			131823426
corticosterone	6.92	347.2237	M+H	6	346.2144094	C21H30O4	C02140	HMDB0001547	LMST02030186	6314	5753
Isotridecenoic acid	8.13	213.1852	M+H	1	212.17763	C13H24O2			LMFA01030045	34734
Ganglioside GM3 (d18:1/12:0)	6.29	1119.6357	M+Na	4	1096.650558	C53H96N2O21		HMDB0004842		7101	20057283
MIPC(d18:0/16:0(2OH))	7.43	982.5806	M+Na	3	959.594643	C46H90NO17P			LMSP03030054	103183
"PI(22:4(7Z,10Z,13Z,16Z)/0:0)"	8.07	671.3145	M+Na	3	648.327469	C31H53O12P			LMGP06050013	81178
Isochapelieric acid methyl ester	5.63	437.1942	M+H	4	436.188591	C26H28O6			LMPK12100080	48440
Tyr Gln Gln	5.63	438.1972	M+H	3	437.19105	C19H27N5O7				20796
CL(8:0/8:0/8:0/a-13:0)	7.43	997.5434	M+Na	5	974.5496754	C46H88O17P2		HMDB0116803			131823412
"PC(O-18:2(9Z,12Z)/0:0)[U]"	7.43	506.361	M+H	1	505.3532249	C26H52NO6P				40378
PIM1(17:0/18:0)	8.57	1015.6411	M+H	8	1014.625608	C50H95O18P			LMGP15010012
Trihexosylceramide (d18:1/18:0)	7.42	1074.6955	M+Na	4	1051.701865	C54H101NO18		HMDB0004880		7137	14215292
Isorhamnetin	6.78	317.0637	M+H	6	316.0583027	C16H12O7	C10084	HMDB0002655	LMPK12110002	3445	5281654
N-arachidonoyl isoleucine	4.35	418.3302	M+H	3	417.324294	C26H43NO3			LMFA08020111	75493
"CL(8:0/8:0/11:0/18:2(9Z,11Z))"	7.42	1105.6393	M+Na	6	1082.643576	C54H100O17P2		HMDB0116884			131823493
enantio-PAF C-16	7.43	524.3715	M+H	1	523.3637704	C26H54NO7P				43413
Arg Gly His	7.88	369.199	M+H	1	368.19205	C14H24N8O4				16476
"LysoPE(0:0/24:6(6Z,9Z,12Z,15Z,18Z,21Z))"	6.3	576.3044	M+Na	3	553.3168394	C29H48NO7P		HMDB0011499	LMGP02050063	62287	53480948
Arg Ser Ser	8.52	371.1626	M+Na	7	348.17573	C12H24N6O6				17369
"PE(20:3(5Z,8Z,11Z)/14:0)"	9.8	714.505	M+H	3	713.4995548	C39H72NO8P		HMDB0009316		60712	53479742
PE(16:0/18:1(9Z))-15-isoLG lactam	7.42	1050.7385	M+H	2	1049.729618	C59H104NO12P			LMGP00000060	75592
NeuAcalpha2-3Galbeta-Cer(d18:1/20:0)	7.42	1047.7342	M+H	4	1046.722939	C55H102N2O16			LMSP0601AA03	56049
Neuromedin B (4-10)	8.57	848.3841	M+H	4	847.3799284	C40H53N11O8S		HMDB0013017			53481578
Retinol	6.78	287.2368	M+H	0	286.2296656	C20H30O	C17276	HMDB0000305	LMPR01090001	215	445354
Stearoylcarnitine	6.32	450.3571	M+Na	4	427.3661591	C25H49NO4		HMDB0000848	LMFA07070008	5811	6426855
MIPC(d18:0/20:0(2OH))	6.68	1016.6545	M+H	10	1015.657243	C50H98NO17P			LMSP03030056	103185
"PC(20:3(8Z,11Z,14Z)/0:0)"	6.55	546.3537	M+H	3	545.3481395	C28H52NO7P		HMDB0010394	LMGP01050133	76575	52924055
O-Arachidonoyl Glycidol	6.79	361.2745	M+H	2	360.26645	C23H36O3				44872
Phe Ser Trp	5.63	439.199	M+H	3	438.19032	C23H26N4O5				16810
Estrane;19-Norandrostane	8.56	247.2423	M+H	1	246.23475	C18H30	C19641			57807
Leu Leu Thr	9.1	368.2165	M+Na	3	345.22637	C16H31N3O5				15718
Ptaerochromenol	0.33	297.0713	M+Na	7	274.08412	C15H14O5	C09029			67364	441980
DG(P-14:0/18:1(9Z))	9.79	573.4866	M+Na	2	550.496111	C35H66O4	C13864		LMGL02040001	4697	5282285
"PA(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))"	8.57	711.4052	M+Na	8	688.4104059	C39H61O8P		HMDB0115038	LMGP10010439	81605	52929032
xi-Pinol	8.56	153.127	M+H	3	152.1201151	C10H16O		HMDB0038251		92976	101153
"PE(20:5(5Z,8Z,11Z,14Z,17Z)/18:4(6Z,9Z,12Z,15Z))"	9.58	758.4701	M+H	7	757.4682547	C43H68NO8P		HMDB0009459	LMGP02010977	60855	52924678
"PG(22:4(7Z,10Z,13Z,16Z)/0:0)"	6.31	583.2963	M+Na	8	560.311423	C28H49O9P			LMGP04050017	80005
"ent-2alpha,3alpha-Dihydroxyisokaurene"	8.57	327.2275	M+Na	6	304.2402	C20H32O2	C21831
Palmitoleic Acid ethyl ester	8.55	283.2631	M+H	0	282.25588	C18H34O2				45010
"PI(20:4(5Z,8Z,11Z,14Z)/0:0)"	6.79	621.2992	M+H	7	620.296168	C29H49O12P			LMGP06050006	46748
Omega-Carboxy-trinor-leukotriene B4	8.58	339.1831	M+H	9	338.1729386	C18H26O6		HMDB0013032			53481589
Pro Gln Pro	8.58	341.1792	M+H	8	340.17467	C15H24N4O5				17361
Leu Ala His	8.48	362.1785	M+Na	4	339.19065	C15H25N5O4				16975
PE(P-16:0/14:1(9Z))	8.89	646.4846	M+H	6	645.47334	C35H68NO7P		HMDB0011336	LMGP02030010	62148	52925043
Ser Leu Lys	9.1	369.2111	M+Na	1	346.22162	C15H30N4O5				15955
NeuAcalpha2-3Galbeta-Cer(d18:1/16:0)	6.68	1013.6511	M+Na	2	990.660339	C51H94N2O16			LMSP0601AA01	56047
His-Nap-OH	8.57	475.1571	M+H	9	474.15393	C25H22N4O6				65326
"PI(22:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	6.67	989.612	M+Na	3	966.619734	C53H91O13P			LMGP06010953	80975
PC(O-14:0/2:0)[U]	6.69	496.3402	M+H	1	495.3324895	C24H50NO7P				40049
"MGDG-O(16:3(7Z,10Z,13Z))"	6.69	783.4583	M+Na	9	760.476166	C43H68O11			LMGL05010027	75585
Phe His Arg	6.69	459.2491	M+H	6	458.239	C21H30N8O4				15776
Tumonoic Acid I	6.69	498.3454	M+H	6	497.33525	C27H47NO7				65437
Lys Lys Tyr	6.69	460.252	M+Na	2	437.26382	C21H35N5O5				15981
"PC(O-16:2(9E,10E)/0:0)[U]"	6.68	478.33	M+H	2	477.3219248	C24H48NO6P				40371
Polyporusterone A	6.68	479.3335	M+H	7	478.3294392	C28H46O6		HMDB0038495		93173	85041613
Docosanamide	9.66	340.3567	M+H	2	339.3501151	C22H45NO		HMDB0000583	LMFA08010020	5565	76468
PA(22:1(11Z)/0:0)	6.69	515.3122	M+Na	3	492.3215909	C25H49O7P		HMDB0062304	LMGP10050029	82348	52929762
Arg Trp Val	5.64	460.2677	M+H	2	459.2594	C22H33N7O4				15690
"PC(18:3(6Z,9Z,12Z)/0:0)[U]"	6.69	518.3214	M+H	5	517.3168394	C26H48NO7P				40303
Succinic acid semialdehyde	0.34	103.0394	M+H	4	102.0316941	C4H6O3	C00232	HMDB0001259	LMFA06000118	275	1112
PIM1(18:1(9Z)/18:1(9Z))	6.68	1047.6038	M+Na	5	1024.609958	C51H93O18P			LMGP15010025
SM(d16:1/18:1)	9.69	723.538	M+Na	4	700.551926	C39H77N2O6P			LMSP03010040	83741
Leukotriene D4 methyl ester	6.27	533.2652	M+Na	1	510.27636	C26H42N2O6S				45049
Ethyl 2-furanacrylate	5.6	167.0707	M+H	3	166.0629942	C9H10O3		HMDB0041611		95984	1550909
CL(8:0/10:0/10:0/a-13:0)	6.69	1031.6274	M+H	8	1030.612276	C50H96O17P2		HMDB0117432			131824041
Gln Asp Phe	5.58	409.1752	M+H	8	408.1645	C18H24N4O7				15905
Tyr Lys Gly	6.29	367.1945	M+H	8	366.19032	C17H26N4O5				16708
Marmesin rhamnoside	12.16	393.1568	M+H	6	392.1471177	C20H24O8		HMDB0039564		94123	131752678
L-Carnitine	0.36	162.1132	M+H	5	161.1051934	C7H15NO3	C00318	HMDB0000062		52	10917
"PA(20:4(5Z,8Z,11Z,14Z)e/2:0)"	7.44	487.2801	M+H	4	486.2746402	C25H43O7P		HMDB0011156		62007	53480670
"PIP(18:3(6Z,9Z,12Z)/18:1(11Z))"	9.66	1035.5177	M+Na	0	1012.528939	C48H86O18P2		HMDB0009994		61375	131750502
Trp Gln Lys	6.69	461.2534	M+H	6	460.24342	C22H32N6O5				16113
"PI(19:0/20:5(5Z,8Z,11Z,14Z,17Z))"	9.66	921.5389	M+Na	8	898.557134	C48H83O13P			LMGP06010441	80463
Tyr Val Ile	5.63	416.2146	M+Na	3	393.22637	C20H31N3O5				15790
Glu Met Cys	12.2	404.0958	M+Na	10	381.10283	C13H23N3O6S2				18003
TG(18:0/20:3n6/18:0)	10.47	913.8155	M+H	7	912.8145912	C59H108O6		HMDB0045154			131756159
NeuAcalpha2-3Galbeta-Cer(d18:1/24:1(15Z))	11.66	1101.7683	M+H	8	1100.769889	C59H108N2O16			LMSP0601AA07	56053
Spermine	4.27	203.2243	M+H	6	202.2157469	C10H26N4	C00750	HMDB0001256		255	1103
Tyr His Gln	12.17	447.2001	M+H	3	446.19138	C20H26N6O6				15736
Safingol ( L-threo-sphinganine)	5.54	302.305	M+H	1	301.298079	C18H39NO2			LMSP01080055	53955
Congmunoside XV	7.42	1143.5633	M+Na	7	1120.566554	C54H88O24		HMDB0039881		94427	131752743
Isoglobotriaose	8.04	525.1809	M+Na	4	502.1897704	C19H34O15		HMDB0006598		58481	53477863
MIPC(d18:0/24:0(2OH))	7.43	1072.719	M+H	8	1071.719843	C54H106NO17P			LMSP03030058	103187
Phe Met Arg	6.83	475.2132	M+Na	8	452.22057	C20H32N6O4S				16215
"Ethyl (2E,4E,7Z)-Decatrienoate"	4.88	195.1377	M+H	1	194.1306798	C12H18O2		HMDB0035375		90672	71587096
Isorhamnetin 3-rutinoside 4'-rhamnoside	12.02	771.2412	M+H	9	770.2269438	C34H42O20		HMDB0037748		92571	73822546
Ganglioside GA2 (d18:1/24:1(15Z))	9.7	1197.8067	M+Na	9	1174.806665	C62H114N2O18		HMDB0004894		7151	22833619
PC(O-18:1(9E)/0:0)[S]	7.02	508.3755	M+H	1	507.368875	C26H54NO6P				40373
PC(15:0/0:0)[S]	6.32	482.3235	M+H	1	481.3168394	C23H48NO7P				40283
PC(2:0/2:0)[S]	12.19	364.115	M+Na	5	341.1239533	C12H24NO8P				39734
"PGP(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:2(11Z,14Z))"	6.68	927.5219	M+H	8	926.5074166	C48H80O13P2		HMDB0116476			131823131
PC(O-18:0/O-2:1(1E))	7.73	536.4065	M+H	2	535.4001751	C28H58NO6P				40228
PE(20:1(11Z)/0:0)	7.52	508.3433	M+H	7	507.3324895	C25H50NO7P		HMDB0011512	LMGP02050020	77686	52925139
Trihexosylceramide (d18:1/12:0)	7.38	990.5974	M+Na	0	967.607965	C48H89NO18		HMDB0004877		7134	53477785
Ethyl 3-iodo-2E-acrylate	11.67	226.9522	M+H	0	225.945003	C5H7IO2			LMFA01090138	96865
Lys-His-OH	12.16	392.1557	M+H	2	391.14918	C17H21N5O6				65209
"PE(20:4(5Z,8Z,11Z,14Z)/0:0)"	6.3	524.2742	M+Na	1	501.2855393	C25H44NO7P		HMDB0011517	LMGP02050009	46715	42607465
"PIM1(18:2(9Z,12Z)/18:1(9Z))"	6.68	1045.5847	M+Na	1	1022.594308	C51H91O18P			LMGP15010031
Phosphonoacetaldehyde;2-Phosphonoacetaldehyde;2-Oxoethylphosphonate	6.71	125.0005	M+H	5	123.99255	C2H5O4P	C03167			63575	490
Trp Ser Asn	12.17	406.1718	M+H	1	405.16483	C18H23N5O6				16540
Pyroglutamic acid	0.43	130.0505	M+H	5	129.0425931	C5H7NO3	C01879	HMDB0000267		3251	7405
PC(24:0/P-18:0)	10.38	858.7342	M+H	4	857.7237411	C50H100NO7P		HMDB0008785		60231	53479481
Hydrocortisone butyrate propionate	7.44	489.2861	M+H	3	488.277406	C28H40O7	C13358		LMST02030128	41881	636398
Progesterone 3-PEG11-biotin	7.44	1140.6761	M+H	3	1139.6651	C57H97N5O16S				62942
Furcatin	12.11	451.1548	M+Na	6	428.16825	C20H28O10	C10458			68339	442789
Neu5Aca2-3Galß1-4Glcß-Sp	12.04	703.2549	M+H	5	702.24433	C25H42N4O19				3609
PE(18:1(9Z)/0:0)	6.83	502.2916	M+Na	2	479.3011893	C23H46NO7P		HMDB0011506	LMGP02050004	40778	58177709
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	6.29	590.3209	M+Na	1	567.3324895	C30H50NO7P		HMDB0010404	LMGP01050056	61713	10415542
Tyr Met Asn	5.36	449.1506	M+Na	10	426.15731	C18H26N4O6S				17606
montanoyl-CoA	6.76	1174.5493	M+H	8	1173.532675	C49H90N7O17P3S			LMFA07050351
Stearamide	8.56	284.2936	M+H	4	283.2875148	C18H37NO	C13846	HMDB0034146	LMFA08010003	34494	31292
Nor-psi-tropine	9.19	128.1077	M+H	6	127.099714	C7H13NO		HMDB0031667		87846	68147
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/20:4(5Z,8Z,11Z,14Z))"	9.74	828.5498	M+H	5	827.546505	C48H78NO8P		HMDB0008509	LMGP01011948	59955	52923373
Tyr Thr His	12.2	420.187	M+H	2	419.18048	C19H25N5O6				18727
Val Pro Gln	6.31	343.1948	M+H	8	342.19032	C15H26N4O5				16260
"PIM2(19:1(9Z)/16:2(9Z,12Z))"	7.44	1171.6369	M+H	2	1170.631483	C56H99O23P			LMGP15010089
"TG(22:1(13Z)/15:0/20:4(5Z,8Z,11Z,14Z))"	11.66	923.8138	M+H	8	922.7989411	C60H106O6		HMDB0051431			131762162
"PA(20:5(5Z,8Z,11Z,14Z,17Z)/22:5(4Z,7Z,10Z,13Z,16Z))"	9.73	769.4774	M+H	4	768.4730062	C45H69O8P		HMDB0115219			131822050
Trp Gln Gln	12.2	461.2157	M+H	3	460.20703	C21H28N6O6				17761
Tumonoic Acid H	7.39	484.3298	M+H	6	483.3196	C26H45NO7				65436
PGA2 methyl ester	3.92	349.2374	M+H	0	348.23006	C21H32O4				64888
"PI(17:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	9.61	895.5258	M+H	8	894.525834	C48H79O13P			LMGP06010245	80267
Leukotriene D4-d5	6.31	502.2971	M+H	5	501.29209	C25H35D5N2O6S				96385
Phytanol	9.19	321.3154	M+Na	9	298.323566	C20H42O			LMPR0104010006	53575
Pyro-L-glutaminyl-L-glutamine	0.38	258.1105	M+H	8	257.1011706	C10H15N3O5		HMDB0039229		93820	11010621
"PA(21:4(6Z,9Z,12Z,15Z)/0:0)"	7.71	473.2652	M+H	2	472.258993	C24H41O7P			LMGP10050003	40941
"LPIM1(19:2(9Z,12Z)/0:0)"	8.54	795.3599	M+Na	8	772.364643	C34H61O17P			LMGP15040008
Coflodiol	9.54	465.3682	M+Na	5	442.3810808	C30H50O2		HMDB0034664		90119	131751602
Desmosterol	8.45	407.3315	M+Na	8	384.339216	C27H44O	C01802	HMDB0002719	LMST01010016	423	439577
Pteroside A	12.16	433.1824	M+Na	2	410.1940679	C21H30O8		HMDB0030758		87178	12314744
TG(14:0/o-18:0/20:2n6)	11.68	845.7978	M+H	3	844.7883764	C55H104O5		HMDB0042948			131754084
Asp Asp Asn	12.19	363.1119	M+H	8	362.10738	C12H18N4O9				17059
Indoleacetic acid	6.27	198.0525	M+Na	0	175.0633285	C10H9NO2	C00954	HMDB0000197		70	802
N-ethyl arachidonoyl amine	6.27	354.279	M+Na	7	331.287514	C22H37NO			LMFA08020006	36678
N-butyl arachidonoyl amine	9.19	360.3228	M+H	9	359.318814	C24H41NO			LMFA08020011	36683
PC(O-14:0/O-1:0)	7.52	490.3264	M+Na	1	467.3375748	C23H50NO6P				40194
Uracil	0.49	113.0347	M+H	1	112.0272774	C4H4N2O2	C00106	HMDB0000300		258	1174
Megatomic acid	8.3	225.1847	M+H	1	224.17763	C14H24O2			LMFA01030789	45793
PC(16:1(9Z)/18:0)	9.96	760.5843	M+H	1	759.5778051	C42H82NO8P		HMDB0008003	LMGP01011483	59451	52922448
SM(d17:1/24:0)	10.29	802.695	M+H	3	801.6849503	C46H94N2O6P		HMDB0011695		62432	52931214
"PI(19:0/22:2(13Z,16Z))"	6.66	955.6189	M+Na	6	932.635384	C50H93O13P			LMGP06010445	80467
LysoPA(24:1(15Z)/0:0)	7.44	543.3434	M+Na	2	520.352891	C27H53O7P		HMDB0114757			87980423
Glutamyl-Hydroxyproline	4.43	261.1094	M+H	5	260.10084	C10H16N2O6				85734
PG(14:1(9Z)/14:1(9Z))	6.54	685.411	M+Na	9	662.415889	C34H63O10P			LMGP04010920	79745
Phe Phe Tyr	6.3	498.2002	M+Na	1	475.21072	C27H29N3O5				17431
TG(15:0/20:0/15:0)	10.38	857.7501	M+Na	8	834.767641	C53H102O6		HMDB0043076			131754205
PC(2:0/O-18:0)[U]	8.19	552.4024	M+H	0	551.3950688	C28H58NO7P				40164
"PE(16:1(9Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	9.81	786.4985	M+Na	8	763.5152049	C43H74NO8P		HMDB0008978		60407	53479602
Oleoyl Ethyl Amide	7.39	310.3104	M+H	0	309.30317	C20H39NO				44905
MIPC(d20:0/26:0(2OH))	11.65	1128.7811	M+H	8	1127.782443	C58H114NO17P			LMSP03030089	103218
PI(18:0/0:0)	12.06	623.3168	M+Na	0	600.3274637	C27H53O12P		HMDB0240261	LMGP06050004	46746
Glycolaldehyde phosphate	12.04	140.9937	M+H	8	139.9875	C2H5O5P	C21614
"PIM2(18:0/16:2(9Z,12Z))"	6.3	1159.6425	M+H	3	1158.631483	C55H99O23P			LMGP15010065
Myristoyl-EA	5.04	272.2566	M+H	7	271.251129	C16H33NO2			LMFA08040042	46563
Trp Val Cys	12.17	407.1753	M+H	1	406.16748	C19H26N4O4S				15832
"LysoPA(18:3(6Z,9Z,12Z)/0:0)"	6.65	433.2321	M+H	7	432.2276905	C21H37O7P		HMDB0114743			131821848
Cys Asp Asp	0.09	374.0661	M+Na	9	351.07364	C11H17N3O8S				19112
Octadecylamine	5.62	270.315	M+H	2	269.3082503	C18H39N		HMDB0029586		24042	15793
Ricinoleic Acid methyl ester	6.65	313.2743	M+H	2	312.26645	C19H36O3				45190
PC(21:0/26:0)[U]	11.67	966.7893	M+Na	3	943.796906	C55H110NO8P				39819
Pro Thr Phe	8.3	364.1874	M+H	2	363.17942	C18H25N3O5				16075
Dicrocin	8.05	675.2602	M+Na	3	652.2731061	C32H44O14		HMDB0002353			22833595
N-Ornithyl-L-taurine	6.3	240.0999	M+H	6	239.0939767	C7H17N3O4S		HMDB0033519		89331	14257919
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/19:1(9Z))"	9.66	870.5234	M+Na	3	847.536338	C47H78NO10P			LMGP03010834	78498
D-Serine	6.49	106.0504	M+H	5	105.0425931	C3H7NO3	C00740	HMDB0003406		63419	6857549
Asp Leu Arg	4.02	403.2301	M+H	0	402.22268	C16H30N6O6				15681
Hypoxanthine	0.42	137.0467	M+H	7	136.0385108	C5H4N4O	C00262	HMDB0000157		83	790
"PIM2(19:2(9Z,12Z)/18:1(9Z))"	7.45	1199.6597	M+H	9	1198.662783	C58H103O23P			LMGP15010097
PS(O-18:0/0:0)	6.12	512.3334	M+H	3	511.327407	C24H50NO8P			LMGP03060002	78862
"PE(18:3(6Z,9Z,12Z)/0:0)"	6.65	476.2752	M+H	4	475.2698892	C23H42NO7P		HMDB0011508	LMGP02050017	77683	52925136
PC(O-12:0/O-1:0)	6.82	462.2987	M+Na	7	439.3062747	C21H46NO6P				40186
N-stearoyl valine	8.45	406.3288	M+Na	1	383.339944	C23H45NO3			LMFA08020122	75504
Glutamylserine	0.53	257.0762	M+Na	8	234.0851862	C8H14N2O6		HMDB0028828		85742	6995653
"PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:3(8Z,11Z,14Z))"	7.5	880.5026	M+Na	9	857.5206842	C48H76NO10P		HMDB0012448	LMGP03010838	78502	52925948
N-docosahexaenoyl GABA	6.65	436.283	M+Na	2	413.292994	C26H39NO3			LMFA08020105	75487
Val Pro Tyr	8.51	400.1818	M+Na	7	377.19507	C19H27N3O5				16148
"PC(20:4(5Z,8Z,11Z,14Z)/0:0)"	6.31	566.3207	M+Na	2	543.3324895	C28H50NO7P		HMDB0010395	LMGP01050048	61705	24779476
PA(O-20:0/15:1(9Z))	9.66	697.5158	M+Na	2	674.525044	C38H75O7P			LMGP10020047	82193
CPA(18:1(11Z)/0:0)	6.8	441.2388	M+Na	3	418.2484255	C21H39O6P		HMDB0007005		58640	53477946
Humilixanthin	12.14	349.1019	M+Na	4	326.1114	C14H18N2O7	C08548			67056
N-lactoyl-Leucine	2.85	226.1052	M+Na	1	203.115758	C9H17NO4		HMDB0062176			57329455
Lucidenic acid M	6.82	463.3015	M+H	8	462.2981391	C27H42O6		HMDB0035973		91159	131751893
Gly Arg Met	8.3	363.1826	M+H	5	362.17362	C13H26N6O4S				17128
CoA(24:1(15Z))	9.53	1116.4673	M+H	5	1115.45442	C45H80N7O17P3S				75436
SM(d18:1/23:0)	10.3	801.6855	M+H	1	800.6771252	C46H93N2O6P		HMDB0012105	LMSP03010078	83778	46891684
Ser Thr Thr	6.79	330.1288	M+Na	5	307.13795	C11H21N3O7				15822
Cys Cys Pro	0.44	322.0899	M+H	3	321.0817	C11H19N3O4S2				16852
CL(8:0/8:0/11:0/i-20:0)	7.44	1137.696	M+Na	1	1114.706176	C56H108O17P2		HMDB0116888			131823497
SM(d18:1/25:0)	10.34	829.7215	M+H	7	828.708427	C48H97N2O6P			LMSP03010027	41601
"methyl-10-hydroperoxy-8E,12Z,15Z-octadecatrienoate"	4.31	347.2208	M+Na	5	324.230061	C19H32O4			LMFA01040038	74463
"PI(22:1(11Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	8.54	965.6165	M+H	5	964.604084	C53H89O13P			LMGP06010724	80746
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	7.32	579.2718	M+Na	4	556.280123	C28H45O9P			LMGP04050016	80004
N-carbamoyl-beta-alaninate	0.48	154.0354	M+Na	0	131.0462157	C4H7N2O3		HMDB0062812			6971254
"LysoPA(22:5(4Z,7Z,10Z,13Z,16Z)/0:0)"	6.32	507.248	M+Na	0	484.2589907	C25H41O7P		HMDB0114753			25006226
PIM2(16:0/14:0)	6.3	1107.6165	M+H	8	1106.600183	C51H95O23P			LMGP15010050
"PA(22:5(7Z,10Z,13Z,16Z,19Z)/16:0)"	10.01	723.4904	M+H	8	722.4886562	C41H71O8P		HMDB0115378			131822135
Pipercyclobutanamide B	6.75	597.29	M+H	10	596.288637	C36H40N2O6		HMDB0036361		91505	131751972
Pro Phe Phe	6.65	432.1869	M+Na	6	409.20016	C23H27N3O4				15759
"PIM2(16:0/16:2(9Z,12Z))"	6.29	1131.6178	M+H	9	1130.600183	C53H95O23P			LMGP15010053
Guanosine	0.32	284.1012	M+H	8	283.0916686	C10H13N5O5	C00387	HMDB0000133		87	6802
"PS(MonoMe(13,5)/DiMe(9,5))"	6.64	930.5553	M+Na	9	907.5574636	C49H82NO12P		HMDB0061619			131770358
Asn Tyr Leu	6.65	431.1867	M+Na	8	408.20089	C19H28N4O6				16093
Nutriacholic acid	9.06	413.2667	M+Na	1	390.2770097	C24H38O4		HMDB0000467		2985	53477693
Prostaglandin G2 2-glyceryl Ester	8.76	443.2666	M+H	6	442.2566682	C23H38O8		HMDB0062591			91666454
"PI(18:4(6Z,9Z,12Z,15Z)/19:1(9Z))"	9.66	871.5265	M+H	8	870.525834	C46H79O13P			LMGP06010411	80433
Melannin	0.46	285.0784	M+H	9	284.0684735	C16H12O5	C10504	HMDB0041758	LMPK12100004	48366	442808
Val Lys Asn	8.58	382.2054	M+Na	2	359.21687	C15H29N5O5				16573
PGH2-EA	9.07	416.2752	M+Na	5	393.287909	C23H39NO4			LMFA03010219	74984
"TG(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))[iso3]"	11.66	1043.8039	M+Na	0	1020.814592	C68H108O6			LMGL03012585	39083
PC(P-17:0/0:0)	8.37	494.3583	M+H	4	493.353227	C25H52NO6P			LMGP01070007	40403
DL-2-amino-octanoic acid	0.38	160.1336	M+H	2	159.1259288	C8H17NO2		HMDB0000991	LMFA01100056	74884	25200752
Linolenic Acid ethyl ester	8.29	307.2636	M+H	1	306.25588	C20H34O2				45006
NBD-Stearoyl-2-Arachidonoyl-sn-glycerol	9.09	845.5452	M+Na	6	822.55067	C47H74N4O8				64718
PC(O-16:1(9E)/2:0)[U]	6.31	544.3403	M+Na	6	521.3481212	C26H52NO7P				40009
"PG(18:3(6Z,9Z,12Z)/0:0)"	9.5	529.2502	M+Na	7	506.264473	C24H43O9P			LMGP04050020	80008
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/15:0)"	9.73	752.5201	M+H	3	751.5152049	C42H74NO8P		HMDB0009615		61004	53479911
SM(d18:1/26:0)	10.35	843.733	M+H	2	842.724077	C49H99N2O6P			LMSP03010010	41593
Asp Cys Tyr	0.36	422.1019	M+Na	7	399.11002	C16H21N3O7S				16258
Asp Ser Val	12.19	320.1439	M+H	4	319.13795	C12H21N3O7				15703
"PA(22:5(7Z,10Z,13Z,16Z,19Z)/18:4(6Z,9Z,12Z,15Z))"	9.7	743.4613	M+H	4	742.4573561	C43H67O8P		HMDB0115386			131822143
IV2Fuc-nLc4Cer	6.32	1177.6062	M+H	9	1176.588746	C52H92N2O27		HMDB0062482
N-Benzoyl-D-arginine-4-nitroanilide;Bz-Arg-p-nitroanilide	8.51	399.1791	M+H	4	398.17025	C19H22N6O4	C04303			66158	440290
Glycocholic acid	7.39	466.3187	M+H	5	465.3090381	C26H43NO6		HMDB0000138		202	23617285
"PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	6.27	526.2943	M+H	3	525.2855393	C27H44NO7P		HMDB0011526	LMGP02050013	77679	52925132
LacCer(d18:1/14:0)	9.89	834.598	M+H	5	833.586445	C44H83NO13			LMSP0501AB12	83816
"PC(20:3(5Z,8Z,11Z)/16:0)"	9.78	806.569	M+Na	3	783.5778051	C44H82NO8P		HMDB0008364	LMGP01012194	59810	53478949
Tumonoic Acid G	5.98	470.314	M+H	6	469.30395	C25H43NO7				65398
Cys Cys Met	0.49	356.0763	M+H	1	355.06942	C11H21N3O4S3				17753
Thr Lys Thr	8	349.2116	M+H	10	348.20089	C14H28N4O6				18080
Gln Lys Met	3.31	406.2134	M+H	4	405.20459	C16H31N5O5S				16413
DHA	8.3	351.2264	M+Na	9	328.2402303	C22H32O2	C06429	HMDB0002183	LMFA01030185	3457	445580
"TG(15:0/20:5(5Z,8Z,11Z,14Z,17Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	10.13	913.7311	M+H	3	912.7206908	C60H96O6		HMDB0043740			131754859
Suillin	9.48	441.2969	M+H	7	440.2926598	C28H40O4		HMDB0034349		89868	131751551
"PA(18:3(9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))"	9.74	719.4627	M+H	3	718.4573561	C41H67O8P		HMDB0115016			131821954
"PS(O-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	9.1	844.543	M+Na	4	821.557073	C46H80NO9P			LMGP03020083	78730
PS(20:1(11Z)/0:0)	6.3	574.3074	M+Na	8	551.322322	C26H50NO9P			LMGP03050020	78847
Prolyl-Asparagine	6.48	252.0951	M+Na	2	229.106256	C9H15N3O4		HMDB0029012		85910	18464218
(17Z)-hexacosenoyl-CoA	9.57	1166.4683	M+Na	6	1143.485725	C47H84N7O17P3S			LMFA07050099
LacCer(d18:0/14:0)	9.91	836.6108	M+H	2	835.602095	C44H85NO13			LMSP0501AB13	83817
PIP(18:1(9Z)/18:0)	9.59	945.541	M+H	6	944.5391097	C45H86O16P2		HMDB0009972		61354	53480167
CPA(18:0/0:0)	7.4	443.2539	M+Na	1	420.2640756	C21H41O6P		HMDB0007004		58639	51040919
"PE-NMe(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))"	9.79	746.4777	M+H	3	745.4682552	C42H68NO8P		HMDB0113261			131820374
Isorhamnetin 3-(6''-galloylglucoside)	0.4	653.1137	M+Na	4	630.122091	C29H26O16			LMPK12110591	49022
Palmitoleamide	9.19	254.2473	M+H	2	253.240564	C16H31NO			LMFA08010010	97431
N-Acetyl-D-galactosaminyldiphosphoundecaprenol	6.27	1004.5789	M+H	1	1003.57035	C54H87NO12P2	C05845			66339	11953860
O-Arachidonoyl Ethanolamine	8.29	348.2891	M+H	2	347.28243	C22H37NO2				64927
"PS(20:3(5Z,8Z,11Z)/20:1(11Z))"	8.84	840.5673	M+H	9	839.5676348	C46H82NO10P		HMDB0112606			131819835
PG(16:0/0:0)[U]	9.52	507.2663	M+Na	6	484.28012	C22H45O9P				40874
PC(20:0/16:0)	9.97	812.6128	M+Na	1	789.6247553	C44H88NO8P		HMDB0008265	LMGP01011002	59711	24779030
"PI(18:3(9Z,12Z,15Z)/0:0)"	6.83	617.264	M+Na	10	594.280518	C27H47O12P			LMGP06050028	81193
TG(8:0/8:0/8:0)	7.03	493.3458	M+Na	9	470.3607393	C27H50O6	C13044	HMDB0011187		62029	10850
Staurosporine;STS	9.09	467.204	M+H	8	466.20049	C28H26N4O3	C02079			3307	44299148
"TG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/o-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	11.65	965.798	M+H	2	964.7883764	C65H104O5		HMDB0055951			131766436
N(8)-Acetylspermidinium	8.29	210.1577	M+Na	0	187.1684623	C9H21N3O	C01029	HMDB0060288		24072	123689
"Methyl 2,3,6-tri-O-galloyl-beta-D-glucopyranoside"	0.4	651.1156	M+H	6	650.111914	C28H26O18		HMDB0039184		93777	78407221
PC(O-15:0/2:0)[U]	7.03	510.3561	M+H	1	509.3481395	C25H52NO7P				40054
"PG(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	7.71	531.2696	M+H	4	530.264473	C26H43O9P			LMGP04050030	80018
"PE(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))"	9.88	766.5352	M+H	4	765.5308549	C43H76NO8P		HMDB0008976	LMGP02010538	60405	52924241
NeuAcalpha2-3Galbeta-Cer(d18:1/18:0)	6.67	1041.6828	M+Na	2	1018.691639	C53H98N2O16			LMSP0601AA02	56048
Uridine 5'-diphosphate	0.31	405.0067	M+H	7	404.0021969	C9H14N2O12P2	C00015	HMDB0000295		97	6031
Tyr Leu Tyr	9.52	458.2299	M+H	3	457.22129	C24H31N3O6				16353
Vulgaxanthin II	6.58	341.0954	M+H	7	340.0906655	C14H16N2O8		HMDB0029841		67072
PA(P-16:0/17:0)	9.66	669.4832	M+Na	0	646.493744	C36H71O7P			LMGP10030009	82249
PGF2alpha isopropyl ester	9.06	397.2924	M+H	6	396.287576	C23H40O5			LMFA03010076	36147
"PC(16:0/20:4), 1-palmitoyl-2-arachidonoyl-sn-glycero-3-phosphocholine, PAPC "	9.83	782.5692	M+H	0	781.5621	C44H81NO8P
PA(O-16:0/0:0)	6.82	419.2561	M+Na	7	396.264076	C19H41O6P		HMDB0062325	LMGP10060005	82360	11825433
Gln His Asn	3.14	398.1801	M+H	5	397.17098	C15H23N7O6				15745
"PIP2(18:0/16:2(9Z,12Z))"	11.88	995.4691	M+H	3	994.4584899	C43H81O19P3		HMDB0010061		61439	53480252
"PE(22:5(4Z,7Z,10Z,13Z,16Z)/22:5(7Z,10Z,13Z,16Z,19Z))"	9.71	840.5478	M+H	7	839.546505	C49H78NO8P		HMDB0009638		61027	53479934
Oxidized glutathione	0.4	635.1409	M+Na	0	612.1519619	C20H32N6O12S2		HMDB0003337		45	5255796
PA(P-16:0/15:0)	9.71	619.4681	M+H	3	618.462444	C34H67O7P			LMGP10030005	82245
N-stearoyl tyrosine	6.13	448.3424	M+H	1	447.3348589	C27H45NO4		HMDB0062343	LMFA08020100	75482	6710116
Isolauric acid	8	223.1678	M+Na	5	200.17763	C12H24O2			LMFA01020004	4283
Isotridecanoic acid	8.29	237.1846	M+Na	10	214.19328	C13H26O2			LMFA01020006	4285
Pinolenic Acid	8.49	301.2124	M+Na	5	278.22458	C18H30O2				35008
Lys Ser Val	8.49	355.1982	M+Na	9	332.20597	C14H28N4O5				17086
"PG(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	9.67	793.5011	M+H	0	792.4941351	C44H73O10P		HMDB0010599	LMGP04010898	61874	52927163
N-stearoyl arginine	6.13	449.3448	M+Na	3	426.356991	C23H46N4O3			LMFA08020136	75518
Ribose-1-arsenate	12.22	274.9745	M+H	1	273.9669887	C5H11AsO8		HMDB0012285		62913	25201247
"PA(20:2(11Z,14Z)/20:4(8Z,11Z,14Z,17Z))"	10.02	749.5072	M+H	6	748.5043063	C43H73O8P		HMDB0115549			131822237
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/20:4(8Z,11Z,14Z,17Z))"	11.96	865.4973	M+Na	2	842.5097856	C48H75O10P		HMDB0116604			131823247
TG(18:0/14:1(9Z)/18:0)	10.32	855.7336	M+Na	9	832.7519909	C53H100O6		HMDB0044857			131755879
Trp Ser Ser	8.49	401.1417	M+Na	4	378.15393	C17H22N4O6				16659
Filicin;Filixic acid BBB	7.08	669.2971	M+H	10	668.28328	C36H44O12	C10693			68501
"PIP(20:3(8Z,11Z,14Z)/16:0)"	6.64	963.4937	M+Na	4	940.5078096	C45H82O16P2		HMDB0010010		61391	53480204
Gln Val Lys	8.49	396.2232	M+Na	4	373.23252	C16H31N5O5				15673
"PG(20:4(5Z,8Z,11Z,14Z)/0:0)"	9.55	533.2837	M+H	7	532.280123	C26H45O9P			LMGP04050010	46735
Coproporphyrin IV	8.04	677.2638	M+Na	9	654.2689642	C36H38N4O8		HMDB0000644		5617
Valyl-Arginine	7.88	274.1865	M+H	3	273.1800896	C11H23N5O3		HMDB0029121		86013	4266827
TyrMe-Met-OH	7.99	449.1418	M+H	9	448.13042	C21H24N2O7S				65200
Estradiol acetate	8.58	337.1757	M+Na	5	314.1882	C20H26O3				43499
Val Leu Phe	8.48	378.2385	M+H	1	377.23146	C20H31N3O4				16183
PS(8:0/8:0)	6.27	534.2463	M+Na	5	511.254637	C22H42NO10P			LMGP03010021	40806
N-palmitoyl glutamine	7.03	407.2855	M+Na	7	384.298808	C21H40N2O4			LMFA08020127	75509
Cyclic AMP	0.35	352.0396	M+Na	6	329.0525197	C10H12N5O6P	C00575	HMDB0000058		92	6076
Cytidine monophosphate N-acetylneuraminic acid	0.43	615.1595	M+H	8	614.1472675	C20H31N4O16P	C00128	HMDB0001176		434	448209
Pantetheine 4'-phosphate	0.82	359.1013	M+H	7	358.0963583	C11H23N2O7PS		HMDB0001416		398	987
"PC(20:5(5Z,8Z,11Z,14Z,17Z)/18:0)"	9.81	808.58	M+H	6	807.5778051	C46H82NO8P		HMDB0008497	LMGP01011937	59943	52923351
PIP3(16:0/18:1(9Z))	11.92	1099.4361	M+Na	6	1076.44047	C43H84O22P4		HMDB0010150		61528
"PG(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	11.94	867.5119	M+H	6	866.5097856	C50H75O10P		HMDB0116605	LMGP04010977	79802	52927240
"PC(19:3(10Z,13Z,16Z)/0:0)"	7.03	532.3373	M+H	5	531.332492	C27H50NO7P			LMGP01050003	40269
Congmunoside XIV	6.81	1167.5927	M+Na	0	1144.602939	C57H92O23		HMDB0039418		93992	73157309
"PS(22:4(7Z,10Z,13Z,16Z)/17:2(9Z,12Z))"	11.99	844.5168	M+Na	8	821.520688	C45H76NO10P			LMGP03010797	78461
PC(O-12:0/2:0)[U]	5.97	468.3088	M+H	1	467.3011893	C22H46NO7P				40039
"ent-Cassa-12,15-dien-2beta-ol"	8.3	289.2525	M+H	0	288.2453	C20H32O	C21827
"Octadeca-8,10,12-triynoic acid"	7.88	273.1846	M+H	1	272.17763	C18H24O2			LMFA01031106
Phenylephrine 3-O-glucuronide	9.08	372.1658	M+H	1	371.15802	C17H25NO8				700
"TG(20:5(5Z,8Z,11Z,14Z,17Z)/15:0/20:5(5Z,8Z,11Z,14Z,17Z))"	10.1	885.6958	M+H	1	884.6893907	C58H92O6		HMDB0055689			131766209
Lys Glu Thr	6.55	377.2049	M+H	5	376.1958	C15H28N4O7				17285
Glu Gln Val	6.71	375.1871	M+H	1	374.18015	C15H26N4O7				16340
"hexadeca-7,11-dien-1-ol"	6.66	239.2367	M+H	1	238.22967	C16H30O				75249
L-Tyrosine	0.43	182.0812	M+H	0	181.0738932	C9H11NO3	C00082	HMDB0000158		34	6942100
PG(P-20:0/14:1(9Z))	9.46	733.5376	M+H	0	732.530524	C40H77O9P			LMGP04030059	79963
N-Acetylaspartylglutamic acid	6.27	327.0785	M+Na	5	304.0906655	C11H16N2O8		HMDB0001067		44358	5255
"PA(17:2(9Z,12Z)/12:0)"	7.76	603.3983	M+H	6	602.394759	C32H59O8P			LMGP10010276	81442
"MG(0:0/20:5(5Z,8Z,11Z,14Z,17Z)/0:0)"	6.68	399.2504	M+Na	0	376.2613596	C23H36O4		HMDB0011550	LMGL01010026	62333	11660820
Janthitrem F	6.98	646.3694	M+H	7	645.366553	C39H51NO7		HMDB0030530		87043	10009398
SM(d17:1/26:1)	10.29	827.7014	M+H	2	826.692777	C48H95N2O6P			LMSP03010082	83782
PC(16:1(9Z)/14:1(9Z))	9.5	724.4868	M+Na	3	701.4995548	C38H72NO8P		HMDB0007999	LMGP01011476	59447	52922434
PS(18:0/15:0)	9.98	750.5333	M+H	7	749.5206846	C39H76NO10P		HMDB0112372	LMGP03010310	77974	52925420
Octadecyl fumarate	8.25	369.298	M+H	5	368.2926598	C22H40O4		HMDB0038073	LMFA07010979	92842	6436905
Ganglioside GM3 (d18:1/16:0)	9.61	1175.7073	M+Na	4	1152.713158	C57H104N2O21		HMDB0004844		7103	20057285
PE(18:0/14:1(9Z))	9.48	690.512	M+H	7	689.4995548	C37H72NO8P		HMDB0008987	LMGP02010622	60416	52924323
Panaxynol linoleate	8.9	529.4016	M+Na	0	506.412381	C35H54O2		HMDB0041177		95599	131753057
"PE(18:4(6Z,9Z,12Z,15Z)/20:4(8Z,11Z,14Z,17Z))"	9.73	760.4867	M+H	6	759.4839047	C43H70NO8P		HMDB0009202		60608	53479699
PI(12:0/13:0)	9.36	713.4174	M+H	9	712.416284	C34H65O13P			LMGP06010003	40886
Moroctic acid	4.66	299.1986	M+Na	2	276.20893	C18H28O2				34838
CL(8:0/8:0/i-13:0/i-14:0)	6.69	1081.6295	M+Na	3	1058.643576	C52H100O17P2		HMDB0117023			131823632
DL-Propargylglycine	0.4	114.0554	M+H	4	113.04768	C5H7NO2				45299
Hexacosanoyl-CoA	9.54	1164.4589	M+Na	0	1141.470074	C47H82N7O17P3S		HMDB0006459			25202335
Palmyramide A	7.03	672.3864	M+H	1	671.37818	C36H53N3O9				65383
Pitheduloside A	9.63	767.4618	M+H	5	766.4503422	C41H66O13		HMDB0031357		87610	75051914
Asn Asn Pro	6.58	366.139	M+Na	2	343.14918	C13H21N5O6				15970
"PE(18:3(6Z,9Z,12Z)/P-18:0)"	10.03	726.5498	M+H	9	725.5359403	C41H76NO7P		HMDB0009148		60555	53479682
"Cyclic di-3',5'-adenylate;Cyclic di-AMP"	0.51	659.1073	M+H	8	658.105	C20H24N10O12P2	C20565
METABOLITES_END
#END