#METABOLOMICS WORKBENCH andreabonicelli_20220906_133253 DATATRACK_ID:3449 STUDY_ID:ST002283 ANALYSIS_ID:AN003731 PROJECT_ID:PR001463
VERSION             	1
CREATED_ON             	September 21, 2022, 12:19 pm
#PROJECT
PR:PROJECT_TITLE                 	ForensOMICS
PR:PROJECT_TYPE                  	Untargeted metabolomics
PR:PROJECT_SUMMARY               	Analysis of bone biomolecules for post mortem and age at death estimation in
PR:PROJECT_SUMMARY               	forensic contexts
PR:INSTITUTE                     	University of Central Lancashire
PR:LAST_NAME                     	Bonicelli
PR:FIRST_NAME                    	Andrea
PR:ADDRESS                       	Fylde Rd, Preston, Lancashire, PR1 2HE, United Kingdom
PR:EMAIL                         	abonicelli@uclan.ac.uk
PR:PHONE                         	07383974949
PR:PROJECT_COMMENTS              	raw data ID DataTrackID3449
PR:CONTRIBUTORS                  	Andrea Bonicelli
#STUDY
ST:STUDY_TITLE                   	The “ForensOMICS” approach to forensic post-mortem interval estimation:
ST:STUDY_TITLE                   	combining metabolomics, lipidomics and proteomics for the analysis human
ST:STUDY_TITLE                   	skeletal remains
ST:STUDY_SUMMARY                 	The combined use of multiple omics methods to answer complex system biology
ST:STUDY_SUMMARY                 	questions is growing in biological and medical sciences, as the importance of
ST:STUDY_SUMMARY                 	studying interrelated biological processes in their entirety is increasingly
ST:STUDY_SUMMARY                 	recognized. We applied a combination of metabolomics, lipidomics and proteomics
ST:STUDY_SUMMARY                 	to human bone to investigate the potential of this multi-omics approach to
ST:STUDY_SUMMARY                 	estimate the time elapsed since death (i.e., the post-mortem interval, PMI).
ST:STUDY_SUMMARY                 	This “ForensOMICS” approach has the potential to improve accuracy and
ST:STUDY_SUMMARY                 	precision of PMI estimation of skeletonized human remains, thereby helping
ST:STUDY_SUMMARY                 	forensic investigators to establish the timeline of events surrounding death.
ST:STUDY_SUMMARY                 	Anterior midshaft tibial bone was collected from four female body donors in a
ST:STUDY_SUMMARY                 	fresh stage of decomposition before placement of the bodies to decompose
ST:STUDY_SUMMARY                 	outdoors at the human taphonomy facility managed by the Forensic Anthropological
ST:STUDY_SUMMARY                 	Center at Texas State (FACTS). Bone samples were again collected at selected
ST:STUDY_SUMMARY                 	PMIs (219, 790, 834 and 872 days). Liquid chromatography mass spectrometry
ST:STUDY_SUMMARY                 	(LC-MS) was used to obtain untargeted metabolomic, lipidomic and proteomic
ST:STUDY_SUMMARY                 	profiles from the pre- and post-placement bone samples. Multivariate analysis
ST:STUDY_SUMMARY                 	was used to investigate the three omics blocks by means of Data Integration
ST:STUDY_SUMMARY                 	Analysis for Biomarker discovery using Latent variable approaches for Omics
ST:STUDY_SUMMARY                 	studies (DIABLO), to identify the reduced number of markers that could
ST:STUDY_SUMMARY                 	effectively describe post-mortem changes and classify the individuals based on
ST:STUDY_SUMMARY                 	their PMI. The resulting model showed that pre-placement bone metabolome,
ST:STUDY_SUMMARY                 	lipidome and proteome profiles were clearly distinguishable from post-placement
ST:STUDY_SUMMARY                 	profiles. Metabolites associated with the pre-placement samples, suggested an
ST:STUDY_SUMMARY                 	extinction of the energetic metabolism and a switch towards another source of
ST:STUDY_SUMMARY                 	fuelling (e.g., structural proteins). We were able to identify certain
ST:STUDY_SUMMARY                 	biomolecules from the three groups that show excellent potential for estimation
ST:STUDY_SUMMARY                 	of the PMI, predominantly the biomolecules from the metabolomics block. Our
ST:STUDY_SUMMARY                 	findings suggest that, by targeting a combination of compounds with different
ST:STUDY_SUMMARY                 	post-mortem stability, in future studies we could be able to estimate both short
ST:STUDY_SUMMARY                 	PMIs, by using metabolites and lipids, and longer PMIs, by including more stable
ST:STUDY_SUMMARY                 	proteins.
ST:INSTITUTE                     	University of Central Lancashire
ST:LAST_NAME                     	Bonicelli
ST:FIRST_NAME                    	Andrea
ST:ADDRESS                       	Fylde Rd, Preston PR1 2HE
ST:EMAIL                         	abonicelli@uclan.ac.uk
ST:PHONE                         	07383974949
ST:NUM_GROUPS                    	5
ST:TOTAL_SUBJECTS                	4
ST:NUM_FEMALES                   	4
#SUBJECT
SU:SUBJECT_TYPE                  	Human
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:AGE_OR_AGE_RANGE              	61-91
SU:GENDER                        	Female
#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           	D1_Fresh	D1_TF_A_Hilic_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_B_Hilic_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_C_Hilic_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_D_Hilic_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_E_Hilic_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_A_Hilic_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_B_Hilic_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_C_Hilic_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_D_Hilic_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_E_Hilic_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_A_Hilic_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_B_Hilic_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_C_Hilic_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_D_Hilic_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_E_Hilic_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_A_Hilic_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_B_Hilic_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_C_Hilic_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_D_Hilic_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_E_Hilic_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_A_Hilic_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_B_Hilic_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_C_Hilic_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_D_Hilic_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_E_Hilic_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_A_Hilic_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_B_Hilic_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_C_Hilic_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_D_Hilic_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_E_Hilic_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_A_Hilic_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_B_Hilic_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_C_Hilic_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_D_Hilic_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_E_Hilic_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_A_Hilic_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_A_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_B_Hilic_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_B_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_C_Hilic_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_C_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_D_Hilic_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_D_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_E_Hilic_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_E_Hilic_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_A_Hilic_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_B_Hilic_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_C_Hilic_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_D_Hilic_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_E_Hilic_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_A_Hilic_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_B_Hilic_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_C_Hilic_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_D_Hilic_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_E_Hilic_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_A_Hilic_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_B_Hilic_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_C_Hilic_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_D_Hilic_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_E_Hilic_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_A_Hilic_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_B_Hilic_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_C_Hilic_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_D_Hilic_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_E_Hilic_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_A_Hilic_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_B_Hilic_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_C_Hilic_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_D_Hilic_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_E_Hilic_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_A_Hilic_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_B_Hilic_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_C_Hilic_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_D_Hilic_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_E_Hilic_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_A_Hilic_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_B_Hilic_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_C_Hilic_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_D_Hilic_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_E_Hilic_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_A_Hilic_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_A_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_B_Hilic_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_B_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_C_Hilic_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_C_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_D_Hilic_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_D_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_E_Hilic_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_E_Hilic_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_A_Lip_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_B_Lip_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_C_Lip_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_D_Lip_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_E_Lip_Pos	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_A_Lip_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_B_Lip_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_C_Lip_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_D_Lip_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_E_Lip_Pos	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_A_Lip_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_B_Lip_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_C_Lip_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_D_Lip_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_E_Lip_Pos	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_A_Lip_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_B_Lip_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_C_Lip_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_D_Lip_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_E_Lip_Pos	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_A_Lip_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_B_Lip_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_C_Lip_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_D_Lip_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_E_Lip_Pos	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_A_Lip_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_B_Lip_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_C_Lip_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_D_Lip_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_E_Lip_Pos	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_A_Lip_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_B_Lip_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_C_Lip_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_D_Lip_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_E_Lip_Pos	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_A_Lip_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_A_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_B_Lip_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_B_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_C_Lip_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_C_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_D_Lip_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_D_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_E_Lip_Pos	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_E_Lip_Pos.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_A_Lip_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_B_Lip_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_C_Lip_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_D_Lip_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Fresh	D1_TF_E_Lip_Neg	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D1_TF_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_A_Lip_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_B_Lip_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_C_Lip_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_D_Lip_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D1_Decomposed	D1_TS_E_Lip_Neg	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D1_TS_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_A_Lip_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_B_Lip_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_C_Lip_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_D_Lip_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Fresh	D2_TF_E_Lip_Neg	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D2_TF_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_A_Lip_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_B_Lip_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_C_Lip_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_D_Lip_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D2_Decomposed	D2_TS_E_Lip_Neg	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D2_TS_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_A_Lip_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_B_Lip_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_C_Lip_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_D_Lip_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Fresh	D3_TF_E_Lip_Neg	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D3_TF_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_A_Lip_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_B_Lip_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_C_Lip_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_D_Lip_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D3_Decomposed	D3_TS_E_Lip_Neg	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	RAW_FILE_NAME=D3_TS_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_A_Lip_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_B_Lip_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_C_Lip_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_D_Lip_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Fresh	D4_TF_E_Lip_Neg	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	RAW_FILE_NAME=D4_TF_E_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_A_Lip_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_A_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_B_Lip_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_B_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_C_Lip_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_C_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_D_Lip_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_D_Lip_Neg.mzML
SUBJECT_SAMPLE_FACTORS           	D4_Decomposed	D4_TS_E_Lip_Neg	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	RAW_FILE_NAME=D4_TS_E_Lip_Neg.mzML
#COLLECTION
CO:COLLECTION_SUMMARY            	Bone samples (ca. 1 cm3) of the anterior midshaft tibia (left) were collected
CO:COLLECTION_SUMMARY            	prior to placement of the body outdoors, and again upon retrieval of the
CO:COLLECTION_SUMMARY            	completely skeletonized remains (right). Each body was in “fresh” stage of
CO:COLLECTION_SUMMARY            	decomposition when pre-placement samples were taken, and in
CO:COLLECTION_SUMMARY            	“skeletonization” stage when post-placement samples were collected, based on
CO:COLLECTION_SUMMARY            	scoring of the gross morphological changes37. The duration of each placement and
CO:COLLECTION_SUMMARY            	the deposition context are reported in Table 1. The soft tissue was incised with
CO:COLLECTION_SUMMARY            	a disposable scalpel, and a 12 V Dremel cordless lithium-ion drill with a
CO:COLLECTION_SUMMARY            	diamond wheel drill bit was used at max. 5000 revolutions to collect ~1 cm3 of
CO:COLLECTION_SUMMARY            	bone. Sampling instruments were cleaned with bleach and deionised water between
CO:COLLECTION_SUMMARY            	each individual sample collection. A total of eight samples were collected in
CO:COLLECTION_SUMMARY            	Ziploc bags, transferred immediately to a -80 °C freezer, and subsequently
CO:COLLECTION_SUMMARY            	shipped overnight on dry ice to the Forensic Science Unit at Northumbria
CO:COLLECTION_SUMMARY            	University, U.K. The samples were then transferred to a lockable freezer at -20
CO:COLLECTION_SUMMARY            	°C as per UK Human Tissue Act regulations (licence number 12495). The bone
CO:COLLECTION_SUMMARY            	samples were defrosted, and fine powder was obtained with a Dremel drill
CO:COLLECTION_SUMMARY            	equipped with diamond-tipped drill bits operated at speed 5000 rpms, to avoid
CO:COLLECTION_SUMMARY            	heat damage caused by the friction with the bone. The collected powder was
CO:COLLECTION_SUMMARY            	homogenised and stored in 2 mL protein LoBind tubes (Eppendorf UK Limited,
CO:COLLECTION_SUMMARY            	Stevenage, UK) at -80 °C until extraction and testing. The powder sample was
CO:COLLECTION_SUMMARY            	later divided into 25 mg aliquots. The research and bone sample analyses were
CO:COLLECTION_SUMMARY            	reviewed and approved by the Ethics committee at Northumbria University (ref.
CO:COLLECTION_SUMMARY            	11623).
CO:SAMPLE_TYPE                   	Bone
CO:STORAGE_CONDITIONS            	-20℃
#TREATMENT
TR:TREATMENT_SUMMARY             	Anterior midshaft tibial bone was collected from four female body donors in a
TR:TREATMENT_SUMMARY             	fresh stage of decomposition before placement of the bodies to decompose
TR:TREATMENT_SUMMARY             	outdoors at the human taphonomy facility managed by the Forensic Anthropological
TR:TREATMENT_SUMMARY             	Center at Texas State (FACTS). Bone samples were again collected at selected
TR:TREATMENT_SUMMARY             	PMIs (219, 790, 834 and 872 days)
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Chloroform (Chl), AnalaR NORMAPUR® ACS was purchased from VWR Chemicals
SP:SAMPLEPREP_SUMMARY            	(Lutterworth, UK). Water Optima™ LC/MS Grade, Methanol (MeOH) Optima™ LC/MS
SP:SAMPLEPREP_SUMMARY            	Grade, Pierce™ Acetonitrile (ACN), LC-MS Grade and Isopropanol (IPA),
SP:SAMPLEPREP_SUMMARY            	Optima™LC/MS Grade were purchased from Thermo Scientific (Hemel Hempstead,
SP:SAMPLEPREP_SUMMARY            	United Kingdom). In total two replicates for each of the six specimens were
SP:SAMPLEPREP_SUMMARY            	extracted according to a modified Folch et al. [17] as follow: 25 mg of bone
SP:SAMPLEPREP_SUMMARY            	powder was placed in tube A and 750μL of 2:1 (v/v) Chl:MeOH were added,
SP:SAMPLEPREP_SUMMARY            	vortexed for 30s and sonicated in ice for additional 20 min. 300μL of LC-MS
SP:SAMPLEPREP_SUMMARY            	grade water was added to induce phase separation and sonicate for another 15
SP:SAMPLEPREP_SUMMARY            	mins. The sample were then centrifuged at 10°C for 5 mins at 2000 RPM. The
SP:SAMPLEPREP_SUMMARY            	respective upper and lower fractions were collected and transferred to fresh
SP:SAMPLEPREP_SUMMARY            	Eppendorf tubes and the samples were re-extracted with a second time using
SP:SAMPLEPREP_SUMMARY            	750μL of 2:1 (v/v) Chl:MeOH. The two respective fractions were combined and
SP:SAMPLEPREP_SUMMARY            	concentrated. The organic lipid fraction was preconcentrated using a vacuum
SP:SAMPLEPREP_SUMMARY            	concentrator at 55oC for 2.5 hours or until all organic solvents has been
SP:SAMPLEPREP_SUMMARY            	removed. The aqueous metabolite fractions were flash frozen in liquid nitrogen
SP:SAMPLEPREP_SUMMARY            	and preconcentrated using a lyophilizer cold trap -65oC over night to remove all
SP:SAMPLEPREP_SUMMARY            	water content. The respective dry fractions were then stored at -80 until
SP:SAMPLEPREP_SUMMARY            	analysis. The metabolite fraction was resuspended in 100μL in 95:5 ACN/water
SP:SAMPLEPREP_SUMMARY            	(v/v) and sonicated for 15 mins and centrifuged for 15 min at 15K RPM at 4oC and
SP:SAMPLEPREP_SUMMARY            	supernatant was then transferred to 1.5mL autosampler vials with 200μL
SP:SAMPLEPREP_SUMMARY            	microinsert and caped. 20μL of each sample were collected and pooled to create
SP:SAMPLEPREP_SUMMARY            	the pooled QC. The lipid extracts were resuspended in 100μL of 1:1:2 (v/v)
SP:SAMPLEPREP_SUMMARY            	water:ACN:IPA and sonicated for sonicated for 15 min and centrifuged for 15 min
SP:SAMPLEPREP_SUMMARY            	at 15K RPM at 10oC and supernatant was then transferred to 1.5mL autosampler
SP:SAMPLEPREP_SUMMARY            	vials with 200μL microinsert and caped. 20μL of each sample were collected and
SP:SAMPLEPREP_SUMMARY            	pooled to create the pooled QC. The sample set was then submitted for analysis
SP:PROCESSING_STORAGE_CONDITIONS 	On ice
SP:EXTRACTION_METHOD             	Chloroform methanol biphasic extraction
SP:EXTRACT_STORAGE               	-80℃
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	RP ESI-
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters Acquity BEH Amide (150 x 2.1mm, 1.7um)
CH:FLOW_GRADIENT                 	60% “B” at T0 hold for 1.5 min, linear increase to 85% “B” at 7 min,
CH:FLOW_GRADIENT                 	increase to 95% “B” at 12.5 min and hold for 4.5 min
CH:FLOW_RATE                     	200 μL/min
CH:COLUMN_TEMPERATURE            	45°C
CH:METHODS_FILENAME              	AB_Human_Bone_Chromatography.pdf
CH:SOLVENT_A                     	LC/MS grade water:ACN, 40:60 % V/V + containing 10 mM ammonium formate + 0.1%
CH:SOLVENT_A                     	ammonia solution
CH:SOLVENT_B                     	IPA:ACN, 90:10 % V/V + containing 10 mM ammonium formate + 0.1% 0.1% ammonia
CH:SOLVENT_B                     	solution
CH:INJECTION_TEMPERATURE         	300°C
CH:SAMPLE_INJECTION              	5μL
CH:PRECONDITIONING               	4.5 mins B
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Obitrap ID-X Tribrid
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
MS:MS_COMMENTS                   	Mass spectrometry (MS) data were acquired using the AcquieX acquisition workflow
MS:MS_COMMENTS                   	(data dependent analysis). The MS operating parameters were as follows: MS1 mass
MS:MS_COMMENTS                   	resolution 60K, for MS2 30K, stepped energy (HCD) 20, 25, 50, scan range
MS:MS_COMMENTS                   	100-1000, RF len (%) 35, AGC gain, intensity threshold 2e4, 25% custom injection
MS:MS_COMMENTS                   	mode with an injection time of 54 ms. An extraction blank was used to create a
MS:MS_COMMENTS                   	background exclusion list and a pooled QC was used to create the inclusion list.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Area integration
MS_METABOLITE_DATA_START
Samples	D4_TF_E_Lip_Neg	D4_TF_D_Lip_Neg	D4_TF_C_Lip_Neg	D4_TF_B_Lip_Neg	D4_TF_A_Lip_Neg	D3_TF_E_Lip_Neg	D3_TF_D_Lip_Neg	D3_TF_C_Lip_Neg	D3_TF_B_Lip_Neg	D3_TF_A_Lip_Neg	D2_TF_E_Lip_Neg	D2_TF_D_Lip_Neg	D2_TF_C_Lip_Neg	D2_TF_B_Lip_Neg	D2_TF_A_Lip_Neg	D1_TF_E_Lip_Neg	D1_TF_D_Lip_Neg	D1_TF_C_Lip_Neg	D1_TF_B_Lip_Neg	D1_TF_A_Lip_Neg	D4_TS_E_Lip_Neg	D4_TS_D_Lip_Neg	D4_TS_C_Lip_Neg	D4_TS_B_Lip_Neg	D4_TS_A_Lip_Neg	D3_TS_E_Lip_Neg	D3_TS_D_Lip_Neg	D3_TS_C_Lip_Neg	D3_TS_B_Lip_Neg	D3_TS_A_Lip_Neg	D2_TS_E_Lip_Neg	D2_TS_D_Lip_Neg	D2_TS_C_Lip_Neg	D2_TS_B_Lip_Neg	D2_TS_A_Lip_Neg	D1_TS_E_Lip_Neg	D1_TS_D_Lip_Neg	D1_TS_C_Lip_Neg	D1_TS_B_Lip_Neg	D1_TS_A_Lip_Neg
Factors	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:77 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:61 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:67 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:91 | PMI:2-10 | Deposition:Pre deposition | State:Fresh	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	Age:77 | PMI:872 | Deposition:Open pit | State:Skeletonised	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	Age:61 | PMI:834 | Deposition:Burial | State:Skeletonised	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	Age:67 | PMI:790 | Deposition:Burial | State:Skeletonised	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised	Age:91 | PMI:219 | Deposition:Open pit | State:Skeletonised
Cer(d12:0_18:1)+HCOO	649170	664070	591864	561263	660583	373847	661450	771800	811157	1026029	701227	741718	645459	588849	697539	649836	818934	720309	680940	786317	1405748	1873763	1649462	778351	742070	282672	395221	406011	591632	496887	667969	698302	675028	712563	488692	305109	337848	271621	229461	220214
Cer(d13:0_22:0)+HCOO	696788	732255	620337	473909	600193	328538	515085	570236	660986	718393	958077	960635	872215	876606	849841	782071	948927	892320	790641	1059159	1377424	1688740	1383789	1274536	617733	246895	350287	436042	567432	438495	707694	794094	743458	766783	564533	606971	516513	541199	495887	471873
Cer(d14:2_22:0)+HCOO	14594		43492	18740	12305	11182		8809	13658	36417	35756	13323	39753	26535	22205	15656	18077	25798	35431	8029	76542	119258	110399	5383998	9608	25607	57737	31434	57994	54867	65382	33307	29589	12436	34288	3160590	3087639	3074888	2180373	2228073
Cer(d15:0_20:2)+HCOO	629757	685998	675396	670980	688027	387477	533671	348303	573721	675968	1106648	1123678	1002772	956908	817693	921454	1101506	952012	958138	1108670	2148805	2610852	2541448	945889	662873	332888	369168	430399	589117	455235	906371	922672	904510	958779	649013	349795	285930	556544	247791	224859
Cer(d15:0_22:1)+HCOO	2118770	2258875	2326734	1915443	2311019	1081652	1204884	1480784	1473002	1644000	2412534	2516855	2215581	2158716	1978759	1797756	2087204	1887519	1874830	2170306	2900552	4004493	3091343	2925407	2651905	710701	962653	1107849	1391632	1127282	2089679	1819727	1860129	1992677	1364290	1336714	1325092	1332247	923731	928495
Cer(d15:0_26:3)+HCOO	1267837	959758	1349864	1163738	1317426	639610	1040148	1313366	1272489	1391362	1783573	1841908	1466700	1484747	1415831	1774216	2085524	1834545	1255220	2094253	1655632	2282205	1672910	1244810	1040679	282278	407593	468502	663164	495890	1108161	910356	913970	1132800	809516	433223	448234	426726	158446	174226
Cer(d16:1_16:0)+HCOO	22071886	22611849	22095843	19457951	22188592	11522600	17611380	21037823	19367379	24342595	27391840	27365778	23948531	21105589	24139919	24574951	28060055	24359888	26941349	29350201	22210420	28572231	24584645	14368153	24576367	7638232	10126695	11404753	16976736	13237053	21360058	18903374	19998610	21543245	16061549	5903453	5389805	5791703	3815345	3868440
Cer(d16:1_16:1)+HCOO	856954	941138	991813	1030176	919815	558570	814594	896894	1083180	1581579	1035293	1141820	1082469	854134	988345	843246	1083010	947516	865185	1052600	2069406	2719223	2481374	516879	1211938	388646	475264	610877	675992	596848	855526	1040630	882534	846239	534789	196932	188261	176054	180614	202818
Cer(d16:1_18:1)+HCOO	574299	585576	635797	570303	630368	344067	698019	589383	630135	726008	571964	759246	677140	794920	736780	480725	607156	504629	541759	575361	381115	497292	316721	296803	686681	296593	326617	433395	627594	477266	676968	730399	663855	722529	513222	84588	53296	96987	26906	27768
Cer(d16:1_24:2)+HCOO	2695588	2735156	1827792	2604710	1623628	1089003	1476606	1860301	2634992	3068244	3323739	3589360	3246237	2993320	3131580	2559043	4276717	3430077	3433910	3989211	2287695	4390751	3794471	1067353	3346206	754763	371650	1058065	621888	543712	2086074	1822550	1866529	1962988	1385385	408138	345665	364134	228502	344822
Cer(d16:2_22:0)+HCOO		14167						2060	6296		8717	24646	13460				19652	2815	7494	5336	69568	67404	149657	3579607	8277		31837	22064	58148	34524	15190	23348	13075	14288	3018	2109881	2060649	1814507	1603678	1530561
Cer(d16:2_22:0+O)+HCOO	83031	106434	109814	116179	77854	96954	253421	279225	260217	209980	1397095	1482353	745689	1226396	1166790	700440	575051	670167	724764	893339	906825	2144358	1934506	2708521	67149	483255	485598	580050	839498	525642	1123459	1102838	1033850	1113171	855104	1169402	1242913	1147180	1211383	1177746
Cer(d17:0_18:1)+HCOO	1668279	1727296	1798028	1416030	1754073	773063	1066580	1336280	1257901	1559822	1929705	2355249	1801052	1859861	1908488	1574012	1852889	1634068	1566171	1685367	1590164	1990536	1707990	2084183	1990246	609051	747242	893091	1061129	973898	1875438	1965804	1796771	1873237	1423641	1053843	958855	873173	961421	965510
Cer(d17:1_14:0)+HCOO	584715	545777	587804	547120	639273	263022	369403	456875	453551	569086	458463	514538	427699	384864	450619	475821	580930	504601	525924	629264	553261	763829	631159	2394368	683268	145187	158584	212736	332369	258347	468480	433657	393422	467103	375046	873278	834182	838489	408275	411574
Cer(d17:1_16:0)+HCOO	15794700	15316595	15627253	13509344	15623574	7776164	9303975	11443834	11863171	14106615	16952608	19470938	16435563	15160374	16609674	17666502	20378991	18190415	16699039	19186363	15934237	20524102	16504832	16878518	18613395	4502659	5332649	6320768	8761943	7587957	14809329	13113037	12722175	15654769	10066827	6129232	6107508	6245577	3292762	3534502
Cer(d17:1_22:0)+HCOO	6974116	7246946	8205389	6612646	7055957	3770926	4513992	5264076	5634012	6085656	7538896	8014005	7752822	6864088	6841026	6942936	8271175	7115042	7466175	8137751	8848367	12889636	9485467	5613442	9223028	2689783	3234441	3488139	4910813	4103536	7537917	7158453	7393265	8360350	5955870	2048790	2142821	2058402	1506898	1499231
Cer(d17:1_24:1)+HCOO	6976045	7005143	7453300	6346485	7116690	3572633	5214489	5474010	5847977	6751064	7923164	9037103	7829359	7812750	7280196	8107301	9104151	8148566	7389922	8811774	8942466	11881801	9600710	15512896	8888803	2205883	2802502	2867545	4032388	3354747	6316415	6507510	6357739	7150662	5106921	5439719	5502125	5801832	2967345	3051476
Cer(d18:0_16:0)+HCOO	18123950	18138563	18532269	15557343	18405152	9641300	13712145	17173150	16210133	20234426	26271652	27769125	24293700	24555819	20892594	18073826	21676150	19023368	19237211	22861280	27389372	34288455	25431458	13557281	21429433	5700669	7311126	8236566	10699363	8539911	17012964	16054066	16016353	18138957	12816804	5244569	5502562	5497984	4752902	4913827
Cer(d18:0_24:0)+HCOO	2113785	2457838	1958331	1644587	2488005	1406489	3387756	3083756	3203502	4165007	5147433	4412643	3862873	4172704	3974518	2504464	2991737	3197073	2733084	2778655	2517114	3481545	2704801	8664794	2450517	3848643	5030065	4689347	7722847	6804678	5497248	5699881	5545215	5628613	4357747	3090378	2933646	3138172	3222395	3035728
Cer(d18:0_24:1)+HCOO	3759892	2850425	3352921	2163376	3185695	2367027	2713708	3901064	3058178	5243994	5567559	7403310	5341002	5669234	4649078	3451328	3532201	4704699	3152341	4101033	3616159	4087688	4964104	2063790	4025621	1599460	2357466	2189106	3486656	2650610	3829227	3250967	3578437	4278340	2394640	931196	802502	852179	775976	742024
Cer(d18:1_16:0)+HCOO	331517600	320367682	316932276	279417557	328045184	172239171	213852342	250719326	256276757	306369668	377810157	359974631	322844680	326982028	333000412	325113060	389861247	322377444	321662319	397983630	317364633	438685814	349436796	140300533	375945406	101007468	147995689	159648999	191122948	148116167	281716414	267107604	266140735	286220551	195415067	56229096	58940881	57562472	49061398	47885653
Cer(d18:1_16:0)-H	2615076	2554572	2622188	2323085	2529683	1384468	1931936	2006857	2080975	2493011	2811199	2897916	2619889	2515165	2608434	2601480	3054401	2654924	2662349	3091640	2541045	3476734	2822690	1083343	2944646	825384	990850	1270926	1432745	1204140	2276551	2132685	2200033	2277962	1693528	504975	588186	711100	357385	502699
Cer(d18:1_17:0)+HCOO	11354215	11847423	11599732	10657832	11810753	6141405	7864180	9002381	9225306	10372487	10356325	12352518	10243415	10099741	10187575	12520077	15135416	12805298	13590348	14777166	12814719	17602983	15022178	15550412	13970028	3369231	4301053	5222809	6572255	5253825	9521770	8715818	8931987	9208869	7251469	6319852	6204108	6088145	3383044	3506032
Cer(d18:1_17:0+O)+HCOO			2814															10151			7305	26979	37681	2904723		138368	300744	225504	441064	478095	104488	59201	84639	59180	59878	1535056	1228420	1211192	1630929	1356452
Cer(d18:1_18:0)+HCOO	47623831	47349482	50168538	43643105	48525322	23777375	31254586	36787138	40128199	44501562	48123606	52114041	49481940	44632577	44337635	46993118	59244172	50428246	50251275	58193094	54671782	75542681	56850914	42037939	57334987	23845954	29957303	35888142	42756345	35634185	41735955	38179125	38712415	42204016	30251902	17926794	17678570	17224326	16159831	16318153
Cer(d18:1_18:1)+HCOO	10675693	9847349	9974134	9447366	9855754	5270773	7739605	8406736	9038068	11279454	12533285	13440121	12263847	11326940	12154045	9803459	11826856	9976119	9711442	11985627	33602970	42307565	39171429	12180911	12607333	6643133	8959945	10120501	12343782	10959527	13091879	11974696	12051156	13068388	9708465	5271623	4890237	4912249	5822271	5933614
Cer(d18:1_18:2)+HCOO	591328	840665	812882	619570	415521	233916	621502	566303	289943	875266	1457585	1295071	1495262	1402061	1032182	1103400	1570948	1227944	1221101	734918	9643211	14950133	15149328	618400	966124	291282	1359819	836653	611545	514187	1793543	558339	1302135	1706950	545315	559034	576029	347262	924450	391505
Cer(d18:1_20:0)+HCOO	24922561	23988993	26227002	22557605	23966420	12896245	16223686	18376299	19327217	22914590	25313224	26811159	24758979	23039119	22948288	19020494	23766671	20653495	20475577	24249437	29589666	39999546	31173007	18089961	30761943	8649924	11310774	12067558	16165528	13395470	23763253	21246653	20277461	23032177	16523712	7117074	7123325	7022722	6505839	6598063
Cer(d18:1_22:0)+HCOO	80873404	84170190	88902977	72535091	88900030	50862483	67973459	84066918	77659662	92989394	104082736	108131767	98627680	94942514	95924696	89253376	114076637	96412334	92496818	111525444	101955329	128976109	105475424	43031694	89607911	37516141	52264899	53324725	72110039	59016240	100369553	93747572	95067929	90014620	67978831	18905827	18785692	18938972	14427783	14191557
Cer(d18:1_22:0)-H	589752	570487	525733	490231	551545	340212	424380	532911	543541	573256	636157	619061	657029	520862	553032	508702	641629	600067	579577	578612	673101	831924	718308	188140	671041	241594	287074	325685	500938	339474	566010	556274	647323	576872	511763	117419	118258	98694	99928	113269
Cer(d18:1_23:0)+HCOO	31265131	30881806	31893356	25116660	30110322	16354451	21177147	23309605	26485805	31041293	35774388	36779338	35402469	33644049	33035031	35652460	39521440	35896968	34375139	38993015	36735283	47956551	39114730	22628965	35177274	13608727	17257312	19715339	25855126	21354107	38598047	37213860	36796623	39264163	29225806	8328384	8571330	8202739	6887880	6899552
Cer(d18:1_24:0)+HCOO	128282423	135296139	144589135	113054230	133848969	89883430	105055883	117296706	136579656	195479681	177926397	178184151	157544381	157024107	145354663	137382807	171469117	150007905	159539288	179055226	136972145	180383875	147043465	61444184	153847222	66140985	82644067	91467405	121357045	97578429	170341449	161458252	152824574	163950181	124896137	24178362	22862535	23022777	19688906	20178749
Cer(d18:1_24:0)-H	837362	926810	1000319	635015	820075	517154	636432	840088	814842	1050817	1052216	1131824	1082210	959460	898044	800514	1118453	1034960	1054829	1083697	817700	1032138	829682	455474	901682	433348	479576	544099	799348	601650	1093607	937069	986079	1094843	743628	176470	116585	163167	144345	147129
Cer(d18:1_24:1)+HCOO	146540737	154708322	117323337	96583911	146647865	89283462	97209925	123807477	117883343	146065649	175770144	181813217	161713717	162094317	155415130	126188998	150315198	132347866	129879426	153434960	137988608	162009978	133103579	66032490	132276835	71518608	90129918	96779528	126461676	105819886	168071785	167027601	163736065	167006456	97247600	35665868	34639160	35107641	27176061	20377100
Cer(d18:1_24:1)-H	753644	907209	892853	748628	668760	554866	669528	711235	770617	858902	1109273	1101623	1052148	1281929	1124098	636466	935402	888429	1160390	897603	789752	967843	1082931	596624	1040798	248907	517231	427643	688314	578762	1103435	809170	737444	1020367	779322	221701	148679	190852	169629	122823
Cer(d18:1_24:2)+HCOO	31587928	40145767	33624193	30378023	40195688	20434801	32177338	37787046	44497104	55234831	48081453	51825022	54616370	47639680	40586414	41313025	46542070	48000028	42770722	48336485	36821175	46882961	50390582	11370449	39947942	13599003	17708896	20453727	25865852	20606092	35247775	32958837	31616907	34937338	25055789	4011323	3988088	3947765	3266461	3293138
Cer(d18:1_25:0)+HCOO	3293493	3295578	3015539	2399602	3052717	2043966	2984015	3534731	3538244	3954606	4789944	4991164	4845933	4275234	4428510	4286928	4674668	4476945	4354157	4836049	4011872	4759446	4114434	4471859	3234664	1929550	2430164	2882119	3951078	3029471	4955786	4909045	4985989	5262753	3850995	1694175	1670442	1553641	1545865	1577009
Cer(d18:1_26:0)+HCOO	1791661	1673569	1875134	1264840	1736580	1306136	2095580	2448505	2254328	2763383	3487558	3866369	3738495	3429829	3265662	2839310	3102817	2829798	2732467	3187113	2385829	2878806	2609003	2073939	1766610	1573861	2062934	2376077	3182361	2656876	3763094	3408949	3442601	3733582	2740032	808402	930282	801517	790859	791128
Cer(d18:1_26:1)+HCOO	3722804	3866227	3953704	2841197	3696102	2606436	3417000	4133455	4912352	5529896	5052756	5507111	4777353	3907234	4367213	4216646	5371859	4429062	4414417	4908644	3434638	4668046	3717348	5126581	4200011	2227360	2712237	3014569	4187253	3288197	3872115	4742039	4789319	5150708	3728149	2265210	2212014	2225345	2094172	2039274
Cer(d18:1_26:2)+HCOO	1078377	1113763	1100982	899720	1103413	782641	1234968	1513056	1515404	1775720	1709635	1775775	1631978	1591452	1602849	1450187	1725137	1539867	1481340	1776891	927228	1271728	982281	3689762	913283	828613	1248396	915412	1496126	1149174	1004140	1133036	1106154	1140210	924526	3379933	3316883	3398347	3261795	3144805
Cer(d18:2_16:0)+HCOO	20828065	21955502	24620896	20272242	21455819	13958932	18531232	24645264	24624399	27794705	28419319	28413060	29993968	26591814	24304170	21798614	29266556	22782543	24431292	26624963	28549799	37665178	31764861	6969079	26289447	11064969	11703419	14020677	18711046	18883739	21189389	18032564	18356999	24734692	13825142	3261557	2335034	2248975	1967013	2093378
Cer(d18:2_18:0)-H																	3481				17108638	23410188	22199657	1143648		423228	556067	392519	433958	512343	1527483	1586302	1921638	1564134	1658295	497656	409850	851892	534777	551456
Cer(d18:2_18:2)+HCOO	8379			7257							11702	21355	15439	6131	23038	3914	6967	4727		7963	690790	1359798	1077391	145045			5322	16343	28288	19248	11924	6393	11985	21415	4821	49846	49106	45700	61612	5248
Cer(d18:2_20:0)+HCOO	5193986	6304186	6079957	5673542	5661861	3048250	4138888	4592002	5338978	5174528	6894330	7180015	6434560	5983020	5934825	5021563	5858123	5034817	5114745	5644413	8325221	10562499	8799639	4829685	7204761	1773808	2796376	3314287	4260760	3578163	5532951	5101794	4991625	5438141	3697122	3413043	3245051	3194076	1455266	1754737
Cer(d18:2_21:0)+HCOO	742027	685354	674684	600651	738255	328284	630887	534584	557055	637088	886219	914454	800389	759659	812071	771974	888760	755897	799720	875582	1017784	1370639	1048833	643949	827687	216042	271124	349376	501912	259972	776388	607640	685541	672083	469815	376453	311899	306522	185059	199756
Cer(d18:2_22:0)+HCOO	7800195	7673700	8905401	7301577	8198011	4476997	6567270	7608125	8263559	9467154	10222098	10501352	10101850	9230642	9369720	9050833	11910470	10383841	9547402	11678344	9444141	13647962	11120149	7744427	10724099	2531961	3104071	3428334	4488068	3926206	7334792	6760645	6482206	7338679	5309878	2892966	2862561	2827457	1856504	1866350
Cer(d18:2_23:0)+HCOO	7059259	6781007	7330732	6560436	6677546	3937075	5069876	5645706	6674839	7530801	7212396	7154198	7102947	5867273	6657471	6891589	8794183	7357887	7333308	8318013	8783506	12462943	8943184	6502198	8810325	2470549	3023054	3592156	4536169	3713051	7181925	6400552	6855069	7177450	5356788	2464539	2305532	2267889	1421109	1276380
Cer(d18:2_24:2)+HCOO	1672815	2226193	1895173	1978882	1926285	1188599	2278876	2189436	2699053	2923884	2958156	3911481	2967488	3258080	2836627	2782229	4017941	2662634	2735233	3153798	2239971	3134798	2747780	197007	2262103	414693	944919	914816	1441117	1031293	1970448	1261706	1332360	1219346	903118	138323	85980	155165	112438	40199
Cer(d19:1_18:0)+HCOO	578647	618782	558149	477353	615749	327296	438048	483196	498423	572755	801121	902664	635612	727001	682266	455580	459214	474288	509655	614053	474814	757492	572367	868299	656639	254201	385857	473495	560521	482727	768130	779531	713921	777983	580011	470679	369134	362853	471807	267853
Cer(d19:1_24:0)+HCOO	2602371	2513056	2435825	2004668	2411607	1695155	2716359	2931968	2953553	3540609	3935455	4443872	4178425	3924254	3971501	3201658	3137989	2756425	2699146	3320693	3209242	4186734	3108500	1003502	2928827	1656170	2071564	2379356	3085148	2568243	4835777	4873115	4830231	4829700	3590418	425473	423447	424126	358871	373577
Cer(d19:1_24:1)+HCOO	3256434	2985513	2946226	2630366	3012732	2068843	2701231	3335294	3347259	4312013	3762891	4141797	3946018	3686931	3279924	2359946	2924453	3123207	2333058	2902862	2869503	3790242	3297199	754970	3833900	1521853	1769780	2104079	2514541	2103549	4309540	4000951	4261788	4149345	2972418	303599	304108	263787	204800	222645
Cer(d20:0_21:0)+HCOO	2679718	2803808	2735982	2135469	2721640	1395930	1699826	2363357	2238288	2483781	3434890	3536834	3166434	3197740	2829228	3793498	3407442	3120931	3421392	3834291	3181024	3860148	3329954	2207284	2946915	1161402	1511418	1511320	3118148	1513329	3049294	3140878	3148218	3077353	2340574	926260	952160	820346	605585	654450
Cer(d20:0_25:0)+HCOO	69422	64651	64798	32516	57680	57649	89514	112939	10255	100777	53679	72352	24393	5808	21473	45559	17542	28466	5482	27246	11196	8680	12556	181117	36922	394522	818210	991052	751106	1478337	7547	23759	34014	49582	20846	137756	140072	137055	256941	120396
Cer(d22:0_24:1)+HCOO										5489														463082				6583	4924	18458						184847	184176	271649	223262	383464
Cer(d24:0_17:0)+HCOO	1004905	1138955	1127206	718862	1039581	752538	842654	1070811	1212641	1463760	854705	930447	794904	817811	777291	899883	1205068	847712	912632	882664	689869	823551	693206	1028702	1030652	564179	721358	854033	891380	810342	755904	759110	833853	854720	653503	348049	330952	337709	313078	354247
Cer(d24:2_18:1)+HCOO	319358	287018	322748	253679	249070	165958	433170	390692	579074	285980	300370	515064	161405	417509	402275	231198	262002	131679	228295	328647	319003	353050	259882	395720	200144	363327	276504	439980	390943	438716	520685	619663	366601	340929	403501	215147	232033	254469	236950	195635
Cer(m17:1_25:0)+HCOO	7134126	7515826	7699968	5120927	7239072	6270897	8820245	8074562	9982212	11997239	17847076	21553261	19369242	17270595	18531690	13276541	13112687	13552247	14458212	13746965	8250788	11353326	7282442	4017832	8364051	524712	813368	741235	1199686	1068202	1943951	1842844	2089508	1837676	1545808	1311196	1158509	1288076	1508443	1522857
Cer(t16:1_16:1)+HCOO													4061								14188	7288	10437	7359141		35265	48956	65240	81863	147206						3118956	3327316	3172486	2297902	2162800
Cer(t16:1_23:0)+HCOO			8655								7722	3163	5364	5429	9323		11038	5255		5610	8618	86070	102906	698875		773397	1011176	1144063	1298136	1456230	50786	28850	28721	40263	7830	275246	228714	259856	270153	274234
Cer(t16:1_24:1)+HCOO	100976	114043	86662	40125	85830	32089	90231	123484	126300	152656	17726	25031	36036	22402	7798	82042	120149	78181	91000	101975	686942	924143	981411	231284	105530	12886	9915	20235	16625	53749	69685	52768	57149	87863	46232	38057	32515	41327	40938	36707
Cer(t16:1_26:2)+HCOO	127750	125925	135647	40013	142450	75523	121935	145826	69539	141165	50878	93553	67397	94152	13144	132068	172464	104054	110461	133873	599947	861759	1037131	12606	184222	26119	69689	92284	144336	130617	101765	69463	74896	97053	75512		5779			2745
Cer(t17:0_15:0+O)+HCOO																								5282958		1418830	1760596	1966723	2574414	3342248	86447	85106	72114	97576	48758	2220147	2354965	2236161	1960006	1940655
Cer(t17:0_16:0)+HCOO																					182260	273505	220066	3009944		60145	68837	83573	79379	145837	12769	9674	19622	18608	19736	1313533	1136111	1163193	1225391	1483342
Cer(t17:0_17:0+O)+HCOO	95057	95639	74368	69042	61746	34477	86061	100401	70719	114117	81699	89645	83034	66356	57514	84229	127651	77258	98719	90086	125849	197006	170863	5303421	123326	2474081	3323156	3604453	4967152	5999910	1019206	946050	931200	1056834	783167	2108353	2079030	2062996	2084871	2124252
Cer(t17:0_19:1)+HCOO	8618	4978			6440			4979			5931	15743	15142		24894		10344	7569			347640	381926	350535	1499426	7560	426783	425213	617163	849443	1095968	77312	99369	175922	158446	137891	771711	563345	666729	834923	710586
Cer(t17:0_24:0+O)+HCOO	284533	340489	382597	197821	314848	184174	297445	343160	441580	462437	291849	280648	229560	228255	174683	221922	187860	180301	175996	154171	211041	270420	220683	29910395	220893	1861013	2636205	2329166	3213896	3717640	2935750	2680575	2871108	3078489	2944901	11710943	11602417	11802990	13861283	14054668
Cer(t17:0_25:0+O)+HCOO	711864	722522	768626	463395	643042	403464	602827	719900	888506	1048156	715647	578974	437766	432108	407366	454064	446272	374830	441267	464219	2264668	2618976	2429130	132263360	482600	14039928	19309765	18433101	24955391	27793871	21985447	20553019	20239031	20774122	19414540	65210795	60650965	61225089	65667604	58881413
Cer(t17:1_15:0)+HCOO				2078					667	671	3371	700	5269	1864	5699	498	5475	704		1172	16038	38140	32853	1818336			12397	4084	19996	35687	1285	540	2534	3778	3397	689785	711319	715532	618693	587909
Cer(t17:1_16:1)+HCOO			4074																		17837	30919	4021	2376324					4868	7975						972915	916181	1034136	650369	685561
Cer(t17:1_18:1)+HCOO							6746						5513		12103		6130				429226	339024	355846	3851783		629261	904574	910754	1285010	1315586	715922	670446	655933	773041	563493	1503123	1468435	1619785	1462636	1434734
Cer(t17:1_23:0+O)+HCOO	1		4113		10210	10283	41165	46456	59277	44774	199886	200525	195591	146527	209121	84049	124535	85354	94816	106049	264891	180615	179041	4587898	19006	238686	341658	304681	501938	331488	570790	488807	468209	561414	288796	2261632	2003079	2326244	1355823	1702874
Cer(t17:1_24:1)+HCOO	14856	12604	12205					27710	9389	17655	73537	99938	83235	49995	54603	82499	111935	115870	79820	135333	53367	87671	76253	5850466	22059	5804	6141	32687	40923	44169	87308	74860	95051	67817	36936	1736244	2042580	1849956	972969	831195
Cer(t17:1_25:0+O)+HCOO	6894	5249	7490	25745	5770	1	16916	29984	15718	27074	57754	34951	43021	45289	54366	37649	43023	5913	13419	25321	153827	182567	147060	7821907	3042	1000783	1200569	1376329	1774962	2078937	1993910	1785507	1790427	1938135	1993325	2991877	2992253	3031994	2440016	2564805
Cer(t18:0_16:0)+HCOO	10543	7589		6738	6822		6920				4985			2642	7299	6446	14944	5913		11890	218976	208470	129455	3375961	8699	115814	170899	123360	192917	157036	68383	34312	12246	82921	52652	1319089	1249501	1459879	1100261	1135024
Cer(t18:0_18:0+O)+HCOO	10608	8946	6566	7798	11866		9213	9425				8466	7567	12239		6423	2	3140			7724	7593		2279777		689123	973243	983563	1379326	1547170	848999	822788	787998	895481	741252	1068594	978582	1012014	1086299	1184725
Cer(t18:0_18:1)+HCOO	99023	174874	183850	110073	183237	85113	133181	178683	183896	226077	294253	242486	234386	235232	220987	123828	158108	147722	120133	156447	237337	289304	172842	3939861	175158	173986	238840	318520	357274	330377	287913	242110	225687	265802	173266	1589790	1605850	1353737	1253306	1554166
Cer(t18:0_20:0)+HCOO	81059	101602	130694	122855	88196	41144	115116	128208	147049	195435	185269	166220	165640	181618	146928	99298	118112	117647	106832	86596	74071	170694	64596	1623434	106245	600489	836550	898763	1128142	1490861	416958	342339	380987	441551	178206	617822	633000	630243	661585	689510
Cer(t18:0_20:0+O)+HCOO	14291	35311	19200	18191		16151	36250	88335	95621	68505	31925	28523	19531	25426	14269	28325	30960	21899	6450	9123	11	35109	7982	1876055		913242	1091373	1188264	1438944	1750139	820937	708450	689355	791984	658669	718087	607365	702901	744725	767682
Cer(t18:0_22:0)+HCOO	856641	850278	894217	774441	927993	553730	897380	936958	982868	1144330	1041619	1136411	992904	836972	915936	829687	977127	810911	816687	877388	872782	1192810	879355	6919035	1057142	1781191	2390801	2527467	3524067	3896865	2342828	2139318	2087058	2443950	1956582	2802275	2745265	2762016	2922832	2948327
Cer(t18:0_23:0)+HCOO	401089	415432	430211	291719	446828	268673	730887	491044	542697	1096956	795450	385304	459185	311143	328480	276997	470618	281817	318773	350027	296780	311270	205514	3443768	418815	964948	1285456	1398608	1420419	2088707	996128	978566	945340	977049	823846	1331506	1363007	1503913	1536610	1422185
Cer(t18:0_24:0)+HCOO	1556571	1537197	1611092	1073045	1725238	926626	1510907	1671898	1865423	2398996	1907850	1952767	1721918	1740905	1544751	1481402	1832111	1451899	1441120	1741180	1755820	2231642	1789497	26428467	1515427	11029957	15221575	15906621	21462499	23430423	10319756	9521974	9222768	10252949	8855226	11296409	11354123	11055556	12037513	12443856
Cer(t18:0_24:1)+HCOO	2956259	3037404	2956306	2611578	3314145	1788529	2984056	3152612	3506056	4302071	4729214	4980785	4438282	4448313	4002755	3143378	3584357	3186272	3154741	3708426	2950991	3867027	3101367	5340312	3431925	2268280	2838381	3379360	4264955	3686605	3658392	3498469	3372087	3735511	2821633	2198456	2191367	2179852	1666180	1719969
Cer(t18:0_24:2)+HCOO	950478	955012	1187968	816403	926259	622302	769918	937509	838735	1503692	749132	793574	632048	643998	661671	888443	1003980	855572	657093	1027929	3955867	5549333	4935203	473586	932340	512868	675478	719164	849752	891625	1818419	1556676	1634395	2202963	1118149	106725	144170	187001	49684	71496
Cer(t18:0_25:0)+HCOO	537508	636042	536104	281374	559817	346465	469755	560538	875471	944877	338039	362929	275089	260463	216832	305254	346990	322314	348160	265811	139820	114525	118100	2386301	373661	1466664	1891842	2086365	2534433	3151938	843322	684178	737056	765350	586209	1012020	972639	911643	912840	1017596
Cer(t18:0_25:0+O)+HCOO	319277	278556	339451	186441	280068	155403	288051	304787	421468	534594	345876	320120	224861	247673	187118	182462	167842	156651	173647	152901	211278	191899	163875	8584722	186911	2166516	2727007	2593661	3909935	3957391	2229459	2111049	1946733	2162503	1961549	3692485	3569086	3271864	3502960	3639122
Cer(t18:0_26:0)+HCOO	565914	613658	511192	296628	585093	375624	723930	846917	1143471	1189447	581815	536804	476597	458978	348196	389513	411136	408693	414832	318746	259000	208779	184110	3605735	364046	2047881	2447485	2704655	3470976	4154743	1152744	1036577	1069280	1116111	864136	1307802	1341001	1294988	1241571	1261479
Cer(t18:0_26:0+O)+HCOO	669501	546727	781428	311471	481531	339152	529702	617167	829198	821796	449683	414237	349104	336944	239578	293235	393782	314281	255805	278138	468759	403365	475833	9076545	371746	6215012	9244917	8610609	10735368	15183977	3250333	2966349	2981663	3374190	2361432	3497098	3373905	3308086	3957112	3692192
Cer(t18:1_14:0)+HCOO	148434	131684	152164	107212	138907	79907	154300	181408	207403	244437	232347	251091	217346	198723	209844	138660	207922	128187	141634	163082	130616	317814	175330	2819054	147376	113009	178703	201355	261305	265242	318940	263293	293216	312907	200147	1235239	1245435	1157004	845533	769506
Cer(t18:1_15:0)+HCOO	152924	158404	221871	91236	169954	133628	211086	266588	333373	384459	248574	236109	219902	172850	212880	160956	186938	134163	144333	144873	205310	275187	238352	4072352	158161	154261	231356	373859	449099	446869	211359	241575	214331	230055	170790	1517762	1410642	1449221	778512	737718
Cer(t18:1_16:0)+HCOO	1198275	1271900	1297738	1129989	1272207	652531	1012793	1130543	1166676	1315182	1162879	1266882	1123345	1078354	1072869	1058978	1288389	1071399	1132693	1295541	1529631	1987986	1631616	1795566	1286164	646925	883351	940933	1334331	1060482	1628494	1436780	1370309	1771247	1123415	691136	663275	683592	369711	377545
Cer(t18:1_22:0)+HCOO	823078	841661	805095	746602	934689	499335	794385	901529	936082	1064852	970668	1071333	940614	962861	829363	970224	1047712	1043528	961774	1180848	937744	1358352	993423	1948595	930209	525887	591734	788473	996850	723364	983237	871922	935271	1054129	669783	724013	740589	747094	386084	478979
Cer(t18:1_24:1)+HCOO	997381	1036332	969938	1225143	1422089	777919	1402486	1110652	1051335	1274649	1427935	1535856	1305410	1344176	1234426	1396333	1544426	1434260	1338376	1630782	1162755	2293147	1945746	5140940	1104851	597443	749415	882347	1685736	1244217	1917412	1911335	1842772	2089171	1311917	1910911	2117026	2042998	1004981	1065943
Cer(t18:1_26:0)+HCOO	819888	781172	724162	395861	878889	391669	589301	757684	934001	1102182	684402	754793	643558	623240	446488	383125	438829	334175	365548	354341	294944	262728	219134	1491303	563976	537535	613402	743526	912872	889718	267308	221017	206619	270754	171365	703054	698426	701497	725860	707648
Cer(t18:1_26:0+O)+HCOO	1099306	1011458	1040133	496051	1023996	541524	793115	949695	1269928	1343279	749877	678728	578112	567601	462817	505857	502368	363956	431242	403427	340891	183301	175610	766496	711905	718035	830853	1100254	1169010	1117505	251046	245534	230409	280157	212034	397341	389858	422561	362198	390032
Cer(t20:0_16:0)+HCOO											2545	4324					5370	10246			93431	52853	55183	8467544		598677	814686	788852	1042203	1234378						3883133	3897086	3936741	4833449	4789112
Cer(t20:0_25:0)+HCOO	311955	353585	296284	139606	363775	220604	370515	397357	499852	587636	310412	286736	248960	254084	210490	222467	214944	205130	216655	180413	128019	63893	77096	606898	185400	451840	549274	547249	716443	762680	200636	158699	180334	196579	156103	217592	220616	207778	245663	325658
Cer(t20:0_26:0)+HCOO	549155	599210	544034	292507	620432	457837	820923	922912	1190606	1346826	662029	632917	536998	521409	393792	447857	430486	383303	454533	381425	229013	146547	193039	1063888	362925	598481	650564	790813	946786	887827	251197	270414	283573	278147	203931	441808	485087	448995	535710	507434
Cer(t20:1_17:0)+HCOO												2525	9656		3271			3213			48473	46253	41965	1951554		6796	74630	74823	73922	80244	7969	17560	5150	4725	7711	857638	832960	666893	898811	971444
Hex1Cer(d18:1_16:0)+HCOO	3754676	3722741	3533717	3353141	3934643	1802350	2306829	2812582	2484730	3037892	2935875	2962123	2717256	2631724	2583981	2678391	2959026	2623504	2715142	3240003	2861153	3487940	2858955	4066192	5102939	673380	950082	915815	1270055	1024755	1785699	1686092	1699290	1832729	1379164	1693729	1636150	1606807	1867338	2048006
Hex1Cer(d18:1_22:0)+HCOO	4846081	5082857	5155894	5069709	5356323	2464874	3288033	3901832	3474976	4102382	5578928	5631257	5247269	5455007	5031015	3612434	4327417	3657832	3758219	4699287	5231714	6744275	5846063	3226376	6671880	1540022	1884759	1961174	2743175	1990955	3911511	3867018	3861351	4057749	3164703	1408998	1299724	1366113	1525308	1527348
Hex1Cer(d18:1_23:0)+HCOO	2101189	2161528	2074160	2129140	2202395	1018013	1177461	1295185	1337034	1548214	2062060	2070302	1956240	1924587	1900143	1505694	1665023	1520995	1444666	1731552	1875091	2233089	2078586	1733808	2703502	674209	773437	834769	1125328	876239	1853171	1842321	1658640	1860594	1447552	653297	624772	677915	752805	775691
Hex1Cer(d18:1_24:0)+HCOO	5666633	5624387	5684159	5295249	5710963	2863975	4016927	4688707	4324717	5537231	6184344	6091771	5882994	5658620	5648085	4077193	4862261	4194568	4219002	4819866	5445475	6925992	5884296	4870605	7005148	1695099	1938804	2136725	2786065	2418237	3975032	4289183	4275461	4268264	3505267	1917360	1926770	1961061	2438030	2415693
Hex1Cer(d18:1_24:1)+HCOO	4670732	4543505	4594923	4563330	4612147	2167715	3364787	3804311	3006812	4298581	5706806	5434698	5124373	4990315	4911099	3127712	3853080	3301094	3202979	3917732	4450147	6050646	5049284	6625398	5946121	1161766	1815294	1919817	2588281	2183398	3818226	3578276	3590493	3784662	2841834	2759704	2804962	2753003	3709616	3765843
Hex2Cer(d16:0_18:1)+HCOO	4871989	5091059	4552136	4362096	4095629	2647980	3999905	4391838	4870647	6139359	3217368	3314754	3065863	3043300	3049458	4053671	4630227	4590944	4161396	4714211	7904160	10261834	8686943	1661611	5710310	1022046	1258656	1278461	1794526	1414853	3192868	3093527	3253403	3190369	2566583	682825	737729	719244	578046	555637
Hex2Cer(d18:1_24:0)+HCOO	6861194	8658993	7314965	8808932	7176652	4912745	4280787	4349322	4408791	5371611	5738526	6063243	5545451	5188717	5494089	5729637	6661529	5703017	6076234	7253445	11790793	14539641	13081856	1520733	10593980	1754383	2172469	2152812	3189954	2386634	5602041	5737954	5290710	5785834	4702463	533251	557024	483518	441792	423807
Hex2Cer(d18:1_24:1)+HCOO	4656574	8870290	5960897	7387007	7435621	2128811	4499985	5432210	5483452	6325996	5693261	5844994	4957034	5155685	5238130	5540002	6124297	6689937	5512987	7305612	8532641	11356849	9397519	1903919	5259534	1720846	2135355	2393183	3063699	2501726	4974570	4973879	5054003	5041041	3869535	708615	684905	692326	461737	505558
LPC(14:0)+HCOO	142075	158260	148995	161244	167516	480427	1492546	1503795	2007346	2628437	143062	127788	123317	107793	108296	619553	693172	676247	620695	722179		24018		14368	226347	819151	1202337	1243496	1341622	1374839				0	8883					
LPC(15:0)+HCOO	162559	202486	197775	203187	213435	242307	670320	710750	824270	1144933	106568	111288	95236	89615	84135	641721	685349	542364	661351	751071	25396	16894	19094	182191	274492	348484	560610	750552	639057	844669	15755	8612	1	5559	5211	15082	10106	11981	31933	53177
LPC(16:0)+HCOO	61112506	59946035	63766182	69403180	59981393	56979763	123653295	134619116	167276252	234207269	26560307	26180973	24838134	24057051	22270792	102850088	118849955	101573816	101162191	115440820	113721	214198	213813	1860834	94149270	652264	824146	933352	1187008	1010061	202052	170789	183017	196143	104942	912666	886727	848467	747908	872723
LPC(16:0)-CH3	624277	551728	653537	660405	592494	584338	1298877	1665726	1546763	2128735	297934	286023	165048	212689	357719	1104520	1212153	975286	1071050	1165036	52195	65139	52499	7709	895503	88		6140	10099			769			199		4947			7041
LPC(16:1)+HCOO	574421	771111	840746	901340	793260	1317660	3686077	4146649	5473806	6778985	190838	176537	168287	159771	125379	2326813	2289471	2529426	2636160	2480725				62411	1087472	233603	407410	519130	384700	502908			12624	15293		22235		16899		9019
LPC(17:0)+HCOO	1790586	1521209	1500301	1491002	1575033	1027416	2380362	2090044	3286315	3188340	1534966	1479625	1401666	1336981	963002	2808976	2386482	2032579	2733280	3098323				55011	2164959	11788	17711	15575	16428	12104	6015	12995	6361	4761	3273	18790		9429	5633	17659
LPC(18:0)+HCOO	58591543	52099789	53539114	59961393	53740052	40932080	90137249	107816528	100581199	163466525	43018825	46907482	40896750	39046875	38862354	72119654	86114065	76265374	75913104	77058450	58621	49123	24273	680562	83036819	278422	328109	407101	498292	442861	75045	16189	13633	49239	39023	435953	464690	465044	305874	422035
LPC(18:1)+HCOO	19287740	18822657	19580000	21484496	18717775	18068643	39112906	44291389	53298362	72583047	7126412	7123267	7777635	8056366	6855540	47422755	52620928	45493094	42377634	47440923	107694	118546	327037	939938	29475118	315383	390107	447576	633155	570270	202709	156859	192567	218579	177759	514842	517964	507632	324878	403730
LPC(18:2)+HCOO	1260123	1696467	1632106	2013509	1416131	1870197	5890357	6061279	6219708	7265527	514972	553593	502549	467483	428099	5710438	6820604	5719583	6288910	6679821	293353	453699	297686	752205	2472882	102691	154248	127524	239137	227485	33305	33385	36169	24329	15662	183393	170887	191853	101521	93640
LPC(19:0)+HCOO	202632	208096	217666	219138	186948	105169	173911	239572	254524	390442	149690	150978	176000	136252	100037	339262	329020	298316	343911	387111				9497	312217			4069		5751								9811		
LPC(20:4)+HCOO	363026	341487	325848	356364	361759	380293	881517	1015006	1042766	986390	181485	158923	123379	140563	116573	811689	873392	714513	765718	935458				68041	554935	13430	24704	7954	25485	30302			5396	5445	11549	12688	30200	9577		7677
LPE(16:0)-H	626775	550990	562248	604801	558617	1322576	2788713	3810609	4736907	6895526	2367772	2253242	2284340	2195150	1656792	3383530	3976062	3263011	3359794	4004807	1522591	1492187	1485494	987710	915386	49513	94567	64358	139555	140783	113396	90095	125524	133257	103323	443918	535198	448410	306319	346357
LPE(16:1e)-H	1377123	1229955	1360270	1382626	1179251	1976250	3966943	5005760	6458532	9658699	19986313	21714478	15276752	16796385	10516786	5999262	6534150	6180284	5561038	6868488	1434896	1697911	1525193	28378	1461376	97457	111495	108845	149633	129768	174430	178251	214373	184420	147794	7895	6090	5443	4175	11285
LPE(18:0)-H	3013101	3484410	3799729	3814991	3021979	5993839	14546545	20899701	27315509	37490068	49391369	44687070	43539318	44962144	29988430	18008747	22305706	19022201	18819340	22855213	30928	80963	61118	423740	4831318	2570	20014	25255	30404	30086	29294	15331	27750	19401	15211	220852	152571	245116	39260	136951
LPE(18:1)-H	634982	517641	525449	715102	502455	1363535	2480127	3172124	5656331	6493700	2958831	4026311	3488074	3638056	1790950	3362828	4955314	4212128	4095466	4885548	704312	791750	823601	482288	1274143	18381	27679	58485	73523	97631	64691	75993	89443	61802	104571	196679	338008	216848	228915	353693
LPE(18:1e)-H	1229987	1062495	1272180	1304291	1087653	1808815	3796316	4918757	6538058	9854654	13895555	13691483	11421788	12720310	8552747	4881165	5469242	5192520	4832240	5916715	492754	732472	667685	110266	1229440	94077	111042	134497	201620	150935	196076	217020	215825	181442	153751	29749	37079	14362	23666	10858
LPE(18:2)-H	127229	135099	110676	226876	147385	258507	420708	694279	1035028	963894	47879	64040	61964	41345	51794	523802	591251	510099	517487	746618	69953	30841	58483	565714	337100	6107				11233						74483	78140	52376	39119	5811
LPE(18:2e)-H	415486	387098	419962	467673	351591	645506	1279750	1638293	1894652	2726908	8478729	7599789	5406942	7466086	4133272	2316239	2447697	2219772	2254998	2684381	426613	522093	432207	12565	494483	5258	18407	15843	38483	36515	32782	56969	78891	19773	59888			9499	5113	
LPI(18:0)-H	711491	591045	610820	647868	575944	860098	842940	1605871	1901770	2383213	1358112	805729	1111400	1020402	876334	2564334	3095946	2153000	3052006	3466952			35879	15837	959187	24876	24509	26469	27146	11697	53199	50719	27181	16016	31673	10082	47189	47476	11662	13029
LPS(18:0)-H	178934	221180	203818	118282	191119	807528	596633	1582399	1771209	1739982	2279084	1050737	2133218	2161042	1156076	3575419	4131911	3104411	3638833	7093637	76247	47390	110989		155239		4702		5230			4817		4360	4159	5503		1921	5784	4612
PC(16:0_14:0)+HCOO	1159080	1219096	1214875	1342133	1198707	1144261	2404986	2748288	2837603	3419052	76808	77715	59943	45010	45201	131354	87838	115250	134959	137860	0	8932		10349	2016883		6617		6352		5362	2096		2643	3480	767	7002	6075	10508	6987
PC(16:0_16:0)+HCOO	32053509	30079919	32309473	33826883	30217051	19824484	41007955	39687228	47827884	56460282	8186302	8278073	7200044	7134728	6589662	6689018	7382817	6883548	7008605	7599133	453672	36555	36485	974737	50464217	206688	276388	288571	360170	343314	36594	22124	22395	39289	12085	508566	501070	459037	419760	433331
PC(16:0_16:1)+HCOO	5617453	5415677	5764430	6406782	5514132	4165866	8371744	8944095	9299254	10445275	210527	227892	159194	186786	149201	784179	886146	599519	629699	718879	37769	16694	34752	721193	9621210	17829	53849	42319	9484	63392	26213	16361	14667	38928	18058	326610	345393	354910	301525	317099
PC(16:0_18:1)+HCOO	60342813	57840018	60713836	69475389	58825552	37949386	63795111	69417018	76527703	86397466	5497660	5664255	4536771	4765948	3959291	11114993	12281109	10890338	11857208	12584698	227193	188723	358159	11593924	98110556	855232	1103626	1159020	1576618	1590286	392376	317055	332726	435866	295727	5536453	5489592	5394670	5115265	5341132
PC(16:0_18:2)+HCOO	17234822	17544313	17389446	21089226	17472423	12025673	20533371	23175250	22961342	27622279	1832484	1918891	1099088	1664676	1345969	5347674	5084993	5220623	4473233	7089852	313987	718637	708738	1170485	25834343	112690	214360	234449	296638	245721	51801	76051	54715	72884	62175	651346	454461	525441	464144	520369
PC(16:0_20:4)+HCOO	2182959	2162377	1517857	1786729	1451444	1272280	2824951	3194181	3179224	2856624	311319	294973	233687	290691	249424	533067	509600	525562	496180	599434		4402	11418	182794	2627541		5913	4465		13594	4461					58047	49638	24935	35678	29517
PC(16:1_14:0)-CH3	8688	29583	6231	10115	4289	4941	23797	25341	40159	82206		17717	6373	4170		5601	0	7368	5696	4864	175949	194346	146703	13929349		2736236	3671008	3555538	3861740	7797229	175370	212952	211551	184261	231281	4279721	5287431	6018790	3835218	5060862
PC(16:1_18:2)+HCOO	57496	41489	63149	110930	68086	105835	397163	444878	470352	485476	5007					12545	19518	4720	27192	29324	1226269	1358670	1254512	67339	148358				5519							26229	15494	15553	9545	3056
PC(16:1e_16:0)+HCOO	1164690	1511101	1186646	1173999	1098276	230861	753547	1206467	1028270	1344577	1130363	1110289	952854	936769	775828	500231	477432	500735	511168	603621	18125	25824	22543	260676	1822468	6650		6827	19428	36020	24088	36572	17445	52620	6985	70034	126370	96372	171937	177335
PC(16:1e_20:4)+HCOO	273660	524197	361006	368211	477875	384629	591604	650523	666801	646931	637260	674324	455068	523579	413191	105107	128888	124048	106048	118813				4400	707343	3694	4067	226	5431	17350										
PC(18:0_16:0)+HCOO	4877391	4552631	4581251	5131685	4710560	3608752	7300097	8155147	9189766	10112930	1728391	1764531	1399437	1905826	1320334	1299605	1469165	1316178	1378246	1336438	70442	32926	30994	319337	7145553	47404	27858	48633	65650	137138	24578	20852	33065	19037	15405	318957	284567	193902	106139	154028
PC(18:0_18:1)+HCOO	13794081	13291669	13830425	15150189	13893751	10510648	17419324	18177646	21434298	22930917	1478370	1483119	1233869	1353647	1107652	3816290	4051020	3643435	3710140	3734574	65209	44938	29518	2742701	19287760	391113	535498	513461	635008	772720	100134	134222	109811	129907	88500	1350281	1342658	1361646	1512041	1479430
PC(18:0_18:2)+HCOO	11117475	9590722	10442135	12514458	10036665	6906597	12412240	14126880	15373800	17389846	1380734	1538725	1210549	1207610	872559	3747351	3786571	3792347	3430940	4237157	183672	383662	345310	3659915	18639891	621707	911040	975226	1294757	1438867	323656	247643	277271	335057	268996	1616456	1511547	1441438	1639227	1411007
PC(18:0_20:4)+HCOO	1634795	1695976	1730580	1826135	1670078	1577798	3371691	3656509	3856915	3558293	369014	389635	321396	361203	277038	655817	652711	647244	606128	730502				38835	3958495	6088	4563	13072	21314							13941	15574	7268	12297	
PC(18:1_18:1)+HCOO	5746623	5798058	6007756	6884593	5487849	4261067	7694149	8169710	8382994	9173649	1011541	1082578	557672	826713	701940	2145494	1675846	1548892	1986317	2411099	271260	558308	580840	18374722	9325738	3554971	5168374	5583303	6774321	8345385	743299	864294	868287	910163	910464	8235123	8187096	8163652	6897619	8598592
PC(18:1_18:2)+HCOO	2588175	2883817	4448177	3360895	3316061	1250536	3072992	3330037	3448580	3761936	474726	460861	280043	337153	333790	1260550	1235568	1608804	1554658	1964903	2105839	2645175	2550534	1590534	6750123	286884	354954	430240	420718	623402	226840	215068	201287	215053	217156	319970	252831	479014	239853	229197
PC(18:1e_16:0)+HCOO	4678297	4908999	4738224	5699836	4889290	2674535	4231377	5182975	5368121	6298409	1260734	1165728	986546	1068524	510688	1507437	1653224	1476084	1560076	1708600	288263	143699	333894	307547	8128077	69751	171182	89338	176699	65634	106744	89316	34385	95635	23208	117945	96315	97981	117281	95191
PC(18:2_18:2)+HCOO	2421	10474	38315	60558	155341	77819	254350	373552	274601	230301	6158				4759	98463	116609	92874	96281	118387	2713540	3334904	3276639	914569	112872	19684	49879	44173	89752	87620	11517	19483	18459	32318	15848	145038	138781	154036	51959	86993
PC(19:1_18:1)+HCOO	236936	168162	140475	32728	129217	96743	84216	214135	101107	44650	10098	8240	17527	6534	6782	26925	16805	43825	9231	35145	13352	26457	9581	8026716	83886	753277	1040818	1149976	1296172	1728438	71384	42543	56234	51079	17241	3343413	3325266	3291849	3913890	3984003
PC(19:1_18:1)-CH3	50767	31993	60509	16455	27895	90686	6908	65371	145011	27897	15208	1455	1938	5026	6165	9346	26260	9817	6511	3998	13970	7674		4474298	51267	460287	646597	679332	887791	1000572	343370	346583	325563	372124	320275	1947254	2036757	2068255	2192587	2246006
PC(19:1_19:1)+HCOO	3566524	2777811	3839755	2581114	2964353	3341079	2733419	3344306	3151250	2834066	182649	224020	104806	140964	96237	1030378	801656	781672	955861	826095	1063	9427	1636	398761	2452528	196042	262583	304163	394019	426937	267595	307440	278522	369598	259608	236903	168626	143828	163692	152294
PE(15:0_16:0)-H	4399						4863		4732		7179		3179		4215	1884		6209		6931	1	49239	51266	1930507		128291	165982	128371	181778	256196	12733	36358	42920	15643	26674	716019	837913	839768	623297	822934
PE(15:0_18:1)-H		9165						4846				0							2199		5154	5257		5083729		149987	165963	181423	189463	245053	172948	258068	199943	145162	212434	2422275	2348494	2487164	2306178	2267482
PE(16:0_16:0)-H				8716		6895	25102	67328	81550	99609	12492	6779	90284	7539	16632	9839			6161		342373	808		2405522	24445	220251	298706	254458	301452	518819	117196	96728	91163	118435	100367	933271	917715	894587	1831703	1033621
PE(16:0_16:1)-H	8688	29583	6231	10115	4289	4941	23797	25341	40159	82206		17717	6373	4170		5601	0	7368	5696	4864	173327	194346	146703	13929349		2736236	3671008	3555538	3861740	7797229	175370	212952	211551	101655	231281	4279721	5287431	6018790	3835218	5060862
PE(16:0_18:1)-H	228869	219096	218003	392375	148410	343154	602106	843015	1174018	1260433	138183	117268	167293	114421	90918	868818	111807	101021	363176	176116	2478367	447060	630421	10534405	432372	512553	763174	758127	829945	1092349	464187	737810	752334	769313	783693	4886488	4901263	4927600	4518600	4701902
PE(16:0_19:0)-H						0					7493	3415		3610	2				6636		2730	14304	4668	2343526		134604	201953	207296	258269	312680	227750	268202	273946	219588	265291	1122131	1047514	1027624	899050	1127480
PE(16:1_14:0)-H	73844	72484	45930	92216	66875	45747	45506	28130	52609	81391						6677	44845	32520	11131	3017				4255687	63957	237981	230325	349066	369777	823277		4933				1836232	1858573	2067160	1584170	1742880
PE(16:1_16:1)-H	383140	213084	396632	395120	377278	323054	272914	288578	283240	261258	26331	10164	9120	7403	9254	242006	381722	290303	362566	338534	41934	66004	50247	5238214	519227	3010064	4326387	3882399	4614967	9517517	23359	56613	22220	42311	27257	2606311	2481974	1883911	2347108	2404798
PE(16:1_18:1)-H			17544	28675	18748	11552		5987	30959	18079			5478			39564	14483	3739	28908	10811	232161	410362	432558	9011546	7620	249588	329721	335743	289809	627251	114844	110903	44107	116016	92793	4216367	3913317	3851408	4918367	3677535
PE(16:1_19:0)-H	59603		14553	9365	6781	11560	19472	11947	36169	12786	6122			6966	14153	24239	13979	11109	11767	12599				6380599		116468	125955	160938	189476	220653	35279	52732	110392	68600	80442	2281952	2049290	2606620	2133136	2109357
PE(16:1e_20:4)-H	157292	139140	194995	237641	146481	336293	624187	963683	1299022	1159108	610761	590398	529765	543328	432943	215008	235036	254598	201594	326077	10982			16393	316278	10742	17249	15032	32834	33637						7246	6037	3047	10475	7149
PE(17:1_15:0)-H	26700	22761	16080	31703	4958	15006	109778	139851	33281	184928	4750	34344	6735	55737	0	11324	14512	93899	13483	15865	6607	34052	16133	1797573	31899	19811	22685	46271	39492	42849	0	41869	9149	3656	5092	748431	793050	729484	806130	769860
PE(17:1_16:0)-H	9427																				1589194	249292	236334	8669017		144785	170503	177233	222924	362432	70281	105243	106957	77751	94593	3677989	3293235	3336053	3518640	3909136
PE(18:0_18:1)-H	444396	390160	395436	468928	377292	487348	845312	1207936	1700854	1672675	281851	290114	84807	252879	135473	269759	211127	449545	211491	360799	116667	194274	144857	1139318	758598	99743	126865	130520	81468	119797	133938	158944	149677	138434	117861	442759	444042	467471	412355	469855
PE(18:0_20:4)-H	98001	108252	148933	146585	65978	297997	541316	892276	1154394	1081342	249363	257231	182779	222710	166281	225787	194015	175310	217725	233309	1081			52589	234085											9362	7415	14654		8406
PE(18:1_18:1)-H		32802	15263	29507	39305	79912	209960	255767	363222	280505	61092	34644	40778	57328	43471	117239	60493	6807	50086	66250	166056	261126	296222	6952171	50261	604851	861823	793602	940886	1258553	177127	218054	199033	191430	226623	3467901	3579715	3592983	3563208	3650195
PE(18:1e_20:4)-H	95480	78531	104711	88300	126116	250936	527981	898703	1118062	1000340	700705	772481	609127	680468	428970	164922	204169	200781	162466	243520	56038	7340	9405		202578				5317		11234	5685	5517		5412					
PE(18:2_18:2)-H		9035			1899			5154	6513	5261							4233	4190		3395	507151	645720	552116	264543			5059			11641		6607				45640	29413	50619	17805	27187
PE(19:1_16:0)-H	40037	19800	38985	58980	39277	39030	21645	8577	87045	8135	6440		8208	7081	17246	108125	35744	11453	46473	36852	620008	40770	69905	2543532	10092	272935	358036	340790	337032	513431	110571	97222	99284	94035	51232	842771	855795	1126016	1268006	1365939
PE(19:1_18:1)-H		34550	29731	27328	7713	99429	59931	88661	20702	45192	97837	26484	78406	60158	46518	64442	12693	185894	31846	10151	21475	71931	52352	3263252	16880	227950	226613	364507	303252	414962	114526	107174	227455	239560	27918	1482281	1308368	1351223	1829898	1570695
PE(19:1_19:1)-H	229227	184195	220363	147976	190563	135724	151998	210520	238091	305597	2140	6627				17444	10403	49857	16133	12900		4807		1958986	171292		6404	16912	27710	42623	5229	5177	9818	8497		936031	942042	944566	1100779	1054975
PE(19:1_20:1)-H	3502	31993	63554	50329	37514	86343	66918	64311	135712	51169	12625	689	6681	5026	3261	9346	19924	9817	6511	3998	10525	23501		4416146	18081	458793	646752	678145	886626	987151	343180	345719	325563	370038	318293	1960776	2067978	2068289	2048773	2274309
PG(15:0_15:0)-H	1518700	4172966	1520630	1716599	4707782	2097395	1014791	917023	2410237	569581	223261	416581	547616	240242	269799	3312252	2294344	653043	1758156	1727938	4899	5549	34693	4524849	1250778	5789	40522	26457	58731	39466	10745	5224		5198	3322	2342589	2197425	2393654	2182001	1645644
PG(15:0_16:0)-H	6954	157607	517	23402	145459	5139	388	4816	37669	15097							2156						5543	3628112	5007	18821	29392	19683	48133	66186			4046		5553	1615384	1575290	1563941	1644378	1434720
PG(15:0_17:0)-H	57559	168247	36191	55520	120187	70741	27120	54164	39204	49963	14672	27697	16831	23222	19412	20071	33253	27269	41333	53495		4352		2773542	543988	47760	59071	67047	130474	112988	8491	9531	4738	10948	5068	1145182	1319547	1231184	1166840	1477958
PG(16:0_16:0)-H	8268	48527	2749	5410	76030	5624	4173	34003	7401	8094	9767	10060	26505	6462	22307	51933	19980	29652	8861	16299	107580	29329	52830	864631	22126	123692	127483	164815	226253	245321	148267	16311	4963	142491		308412	326935	266403	380907	389956
PG(16:0_16:1)-H	7698	10238	15675	11099	7298	10412	523	137517	28904	35821	82112	187353	59939	75825	31897	5490	4842	2699	21621	12836	7034	5598	4531	2170373	7098	619219	932887	1030230	1215769	1454434	643320	17004	43660	650570	4536	858585	914666	916370	949382	1062532
PG(16:0_18:1)-H	89819	99023	106274	41313	56511	42384	63664	116645	39249	128197	107777	146084	104502	123562	26029	21468	25794	11191	11745	22725	340356	14807	68136	8916551	70286	402948	507215	569608	778170	727215	185967	28449	8961	201614	19918	3751426	3064212	3705279	4263254	3743255
PG(17:1_16:0)-H	6119	8271	4103	2630	0	3484	8322	1902		9401	182	6654			360	3792	529	1410	365	1694	427404	5781	7652	1013573	3075	93159	136407	101698	178707	183748	13653	11752	1061	6220		354289	364309	375964	338533	413451
PG(18:0_18:1)-H	66813	66700	75356	101696	118554	61240	15112	139794	126971	143145	6875	33368	13054	7374		10368	21676	4983		7354				1549285	190290	212831	276119	314145	389668	457166	4807	6076	4688	5257		585398	571282	550277	654596	690771
PG(18:1_18:1)-H	754907	1156047	3214962	869355	1613015	384710	295976	338662	309910	706345	423425	491789	391401	354400	503293	127832	153299	117458	112570	160480				41155	2707335		2701	4875	10793							7299	24238	8996	46705	24258
PG(19:1_18:1)-H	4850	15571	2841	20871	5809	1372	5729	10342	7482	12777	13406	15951	11336	5056						2634	3149	7518	1794	1420011	4216	146669	194409	257279	307341	341794		5677	7045	19024	4447	607415	591342	589759	639233	628532
PI(16:0_16:0)-H	26339	25161	23498	14840	23938	9947	6565	3787		3173	1026	862		399		32532	16660	12801	38198	36754		2649	1668	369363	24987	248386	283333	173603	412206	381593	358428	391968	265421	390935	396462	139012	133674	321033	71917	197242
PI(16:0_17:0)-H	106875	50182	121666	23558	44568	30949	8	12267	19338	14033	8259				0	8591	9087	13543		6795			5587	2217445		289339	244345	260187	312658	278129	301764	309447	343276	337085	291226	553074	614949	558346	513021	498207
PI(16:0_18:1)-H	193538	530767	303893	26704	547256	132367	347931	367165	294708	494527	13491	94825	6429	12348	5135	42023	15319	13550	19411	6384	7426	19841	11598	2808574	185560	148528	186338	204179	303693	253831	379078	155891	168233	432183	148754	1516023	1490496	1153681	1594131	1388799
PI(16:0_19:0)-H	2075186	1671156	2033310	1092349	1778254	26577	44449	7971	53517	7676		25178				16838	7847	2199		5387				13243247	123284	1897234	2595574	2756538	3537702	3070725	849642	845543	660174	849121	736238	6064445	5963232	5935740	4733415	4855063
PI(17:0_17:0)-H	938767	101358	159191	12315	35252	9457	5495	109655	11694	31326		302144				182869	8921	8993	5808			2508	17698	3773931	14207	152344	208980	127467	176964	333805	964625	231621	248980	975501	203573	1807116	1791610	1840992	1666839	2010947
PI(18:0_20:4)-H	1007384	1312839	1124667	1026791	1294413	1207738	2573324	3089523	3016143	3323545	1115964	1087897	879385	919108	694495	797579	872342	797421	786007	981119				14186	2343500											7337	6395			
PS(18:0_18:1)-H	1034946	1107287	1593363	911220	880763	1746873																																		
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	LipidGroup	Class	FattyAcid	FA1	FA2	CalcMz	IonFormula
Cer(d12:0_18:1)+HCOO	Cer(d30:1)+HCOO	Cer	(d12:0_18:1)	(d12:0)	(18:1)	526.4476975	C31 H60 O5 N1
Cer(d13:0_22:0)+HCOO	Cer(d35:0)+HCOO	Cer	(d13:0_22:0)	(d13:0)	(22:0)	598.5415975	C36 H72 O5 N1
Cer(d14:2_22:0)+HCOO	Cer(d36:2)+HCOO	Cer	(d14:2_22:0)	(d14:2)	(22:0)	608.5259475	C37 H70 O5 N1
Cer(d15:0_20:2)+HCOO	Cer(d35:2)+HCOO	Cer	(d15:0_20:2)	(d15:0)	(20:2)	594.5102975	C36 H68 O5 N1
Cer(d15:0_22:1)+HCOO	Cer(d37:1)+HCOO	Cer	(d15:0_22:1)	(d15:0)	(22:1)	624.5572475	C38 H74 O5 N1
Cer(d15:0_26:3)+HCOO	Cer(d41:3)+HCOO	Cer	(d15:0_26:3)	(d15:0)	(26:3)	676.5885475	C42 H78 O5 N1
Cer(d16:1_16:0)+HCOO	Cer(d32:1)+HCOO	Cer	(d16:1_16:0)	(d16:1)	(16:0)	554.4789975	C33 H64 O5 N1
Cer(d16:1_16:1)+HCOO	Cer(d32:2)+HCOO	Cer	(d16:1_16:1)	(d16:1)	(16:1)	552.4633475	C33 H62 O5 N1
Cer(d16:1_18:1)+HCOO	Cer(d34:2)+HCOO	Cer	(d16:1_18:1)	(d16:1)	(18:1)	580.4946475	C35 H66 O5 N1
Cer(d16:1_24:2)+HCOO	Cer(d40:3)+HCOO	Cer	(d16:1_24:2)	(d16:1)	(24:2)	662.5728975	C41 H76 O5 N1
Cer(d16:2_22:0)+HCOO	Cer(d38:2)+HCOO	Cer	(d16:2_22:0)	(d16:2)	(22:0)	636.5572475	C39 H74 O5 N1
Cer(d16:2_22:0+O)+HCOO	Cer(d38:2+O)+HCOO	Cer	(d16:2_22:0+O)	(d16:2)	(22:0+O)	652.5521625	C39 H74 O6 N1
Cer(d17:0_18:1)+HCOO	Cer(d35:1)+HCOO	Cer	(d17:0_18:1)	(d17:0)	(18:1)	596.5259475	C36 H70 O5 N1
Cer(d17:1_14:0)+HCOO	Cer(d31:1)+HCOO	Cer	(d17:1_14:0)	(d17:1)	(14:0)	540.4633475	C32 H62 O5 N1
Cer(d17:1_16:0)+HCOO	Cer(d33:1)+HCOO	Cer	(d17:1_16:0)	(d17:1)	(16:0)	568.4946475	C34 H66 O5 N1
Cer(d17:1_22:0)+HCOO	Cer(d39:1)+HCOO	Cer	(d17:1_22:0)	(d17:1)	(22:0)	652.5885475	C40 H78 O5 N1
Cer(d17:1_24:1)+HCOO	Cer(d41:2)+HCOO	Cer	(d17:1_24:1)	(d17:1)	(24:1)	678.6041975	C42 H80 O5 N1
Cer(d18:0_16:0)+HCOO	Cer(d34:0)+HCOO	Cer	(d18:0_16:0)	(d18:0)	(16:0)	584.5259475	C35 H70 O5 N1
Cer(d18:0_24:0)+HCOO	Cer(d42:0)+HCOO	Cer	(d18:0_24:0)	(d18:0)	(24:0)	696.6511475	C43 H86 O5 N1
Cer(d18:0_24:1)+HCOO	Cer(d42:1)+HCOO	Cer	(d18:0_24:1)	(d18:0)	(24:1)	694.6354975	C43 H84 O5 N1
Cer(d18:1_16:0)+HCOO	Cer(d34:1)+HCOO	Cer	(d18:1_16:0)	(d18:1)	(16:0)	582.5102975	C35 H68 O5 N1
Cer(d18:1_16:0)-H	Cer(d34:1)-H	Cer	(d18:1_16:0)	(d18:1)	(16:0)	536.5048175	C34 H66 O3 N1
Cer(d18:1_17:0)+HCOO	Cer(d35:1)+HCOO	Cer	(d18:1_17:0)	(d18:1)	(17:0)	596.5259475	C36 H70 O5 N1
Cer(d18:1_17:0+O)+HCOO	Cer(d35:1+O)+HCOO	Cer	(d18:1_17:0+O)	(d18:1)	(17:0+O)	612.5208625	C36 H70 O6 N1
Cer(d18:1_18:0)+HCOO	Cer(d36:1)+HCOO	Cer	(d18:1_18:0)	(d18:1)	(18:0)	610.5415975	C37 H72 O5 N1
Cer(d18:1_18:1)+HCOO	Cer(d36:2)+HCOO	Cer	(d18:1_18:1)	(d18:1)	(18:1)	608.5259475	C37 H70 O5 N1
Cer(d18:1_18:2)+HCOO	Cer(d36:3)+HCOO	Cer	(d18:1_18:2)	(d18:1)	(18:2)	606.5102975	C37 H68 O5 N1
Cer(d18:1_20:0)+HCOO	Cer(d38:1)+HCOO	Cer	(d18:1_20:0)	(d18:1)	(20:0)	638.5728975	C39 H76 O5 N1
Cer(d18:1_22:0)+HCOO	Cer(d40:1)+HCOO	Cer	(d18:1_22:0)	(d18:1)	(22:0)	666.6041975	C41 H80 O5 N1
Cer(d18:1_22:0)-H	Cer(d40:1)-H	Cer	(d18:1_22:0)	(d18:1)	(22:0)	620.5987175	C40 H78 O3 N1
Cer(d18:1_23:0)+HCOO	Cer(d41:1)+HCOO	Cer	(d18:1_23:0)	(d18:1)	(23:0)	680.6198475	C42 H82 O5 N1
Cer(d18:1_24:0)+HCOO	Cer(d42:1)+HCOO	Cer	(d18:1_24:0)	(d18:1)	(24:0)	694.6354975	C43 H84 O5 N1
Cer(d18:1_24:0)-H	Cer(d42:1)-H	Cer	(d18:1_24:0)	(d18:1)	(24:0)	648.6300175	C42 H82 O3 N1
Cer(d18:1_24:1)+HCOO	Cer(d42:2)+HCOO	Cer	(d18:1_24:1)	(d18:1)	(24:1)	692.6198475	C43 H82 O5 N1
Cer(d18:1_24:1)-H	Cer(d42:2)-H	Cer	(d18:1_24:1)	(d18:1)	(24:1)	646.6143675	C42 H80 O3 N1
Cer(d18:1_24:2)+HCOO	Cer(d42:3)+HCOO	Cer	(d18:1_24:2)	(d18:1)	(24:2)	690.6041975	C43 H80 O5 N1
Cer(d18:1_25:0)+HCOO	Cer(d43:1)+HCOO	Cer	(d18:1_25:0)	(d18:1)	(25:0)	708.6511475	C44 H86 O5 N1
Cer(d18:1_26:0)+HCOO	Cer(d44:1)+HCOO	Cer	(d18:1_26:0)	(d18:1)	(26:0)	722.6667975	C45 H88 O5 N1
Cer(d18:1_26:1)+HCOO	Cer(d44:2)+HCOO	Cer	(d18:1_26:1)	(d18:1)	(26:1)	720.6511475	C45 H86 O5 N1
Cer(d18:1_26:2)+HCOO	Cer(d44:3)+HCOO	Cer	(d18:1_26:2)	(d18:1)	(26:2)	718.6354975	C45 H84 O5 N1
Cer(d18:2_16:0)+HCOO	Cer(d34:2)+HCOO	Cer	(d18:2_16:0)	(d18:2)	(16:0)	580.4946475	C35 H66 O5 N1
Cer(d18:2_18:0)-H	Cer(d36:2)-H	Cer	(d18:2_18:0)	(d18:2)	(18:0)	562.5204675	C36 H68 O3 N1
Cer(d18:2_18:2)+HCOO	Cer(d36:4)+HCOO	Cer	(d18:2_18:2)	(d18:2)	(18:2)	604.4946475	C37 H66 O5 N1
Cer(d18:2_20:0)+HCOO	Cer(d38:2)+HCOO	Cer	(d18:2_20:0)	(d18:2)	(20:0)	636.5572475	C39 H74 O5 N1
Cer(d18:2_21:0)+HCOO	Cer(d39:2)+HCOO	Cer	(d18:2_21:0)	(d18:2)	(21:0)	650.5728975	C40 H76 O5 N1
Cer(d18:2_22:0)+HCOO	Cer(d40:2)+HCOO	Cer	(d18:2_22:0)	(d18:2)	(22:0)	664.5885475	C41 H78 O5 N1
Cer(d18:2_23:0)+HCOO	Cer(d41:2)+HCOO	Cer	(d18:2_23:0)	(d18:2)	(23:0)	678.6041975	C42 H80 O5 N1
Cer(d18:2_24:2)+HCOO	Cer(d42:4)+HCOO	Cer	(d18:2_24:2)	(d18:2)	(24:2)	688.5885475	C43 H78 O5 N1
Cer(d19:1_18:0)+HCOO	Cer(d37:1)+HCOO	Cer	(d19:1_18:0)	(d19:1)	(18:0)	624.5572475	C38 H74 O5 N1
Cer(d19:1_24:0)+HCOO	Cer(d43:1)+HCOO	Cer	(d19:1_24:0)	(d19:1)	(24:0)	708.6511475	C44 H86 O5 N1
Cer(d19:1_24:1)+HCOO	Cer(d43:2)+HCOO	Cer	(d19:1_24:1)	(d19:1)	(24:1)	706.6354975	C44 H84 O5 N1
Cer(d20:0_21:0)+HCOO	Cer(d41:0)+HCOO	Cer	(d20:0_21:0)	(d20:0)	(21:0)	682.6354975	C42 H84 O5 N1
Cer(d20:0_25:0)+HCOO	Cer(d45:0)+HCOO	Cer	(d20:0_25:0)	(d20:0)	(25:0)	738.6980975	C46 H92 O5 N1
Cer(d22:0_24:1)+HCOO	Cer(d46:1)+HCOO	Cer	(d22:0_24:1)	(d22:0)	(24:1)	750.6980975	C47 H92 O5 N1
Cer(d24:0_17:0)+HCOO	Cer(d41:0)+HCOO	Cer	(d24:0_17:0)	(d24:0)	(17:0)	682.6354975	C42 H84 O5 N1
Cer(d24:2_18:1)+HCOO	Cer(d42:3)+HCOO	Cer	(d24:2_18:1)	(d24:2)	(18:1)	690.6041975	C43 H80 O5 N1
Cer(m17:1_25:0)+HCOO	Cer(m42:1)+HCOO	Cer	(m17:1_25:0)	(m17:1)	(25:0)	678.6405825	C43 H84 O4 N1
Cer(t16:1_16:1)+HCOO	Cer(t32:2)+HCOO	Cer	(t16:1_16:1)	(t16:1)	(16:1)	568.4582625	C33 H62 O6 N1
Cer(t16:1_23:0)+HCOO	Cer(t39:1)+HCOO	Cer	(t16:1_23:0)	(t16:1)	(23:0)	668.5834625	C40 H78 O6 N1
Cer(t16:1_24:1)+HCOO	Cer(t40:2)+HCOO	Cer	(t16:1_24:1)	(t16:1)	(24:1)	680.5834625	C41 H78 O6 N1
Cer(t16:1_26:2)+HCOO	Cer(t42:3)+HCOO	Cer	(t16:1_26:2)	(t16:1)	(26:2)	706.5991125	C43 H80 O6 N1
Cer(t17:0_15:0+O)+HCOO	Cer(t32:0+O)+HCOO	Cer	(t17:0_15:0+O)	(t17:0)	(15:0+O)	588.4844775	C33 H66 O7 N1
Cer(t17:0_16:0)+HCOO	Cer(t33:0)+HCOO	Cer	(t17:0_16:0)	(t17:0)	(16:0)	586.5052125	C34 H68 O6 N1
Cer(t17:0_17:0+O)+HCOO	Cer(t34:0+O)+HCOO	Cer	(t17:0_17:0+O)	(t17:0)	(17:0+O)	616.5157775	C35 H70 O7 N1
Cer(t17:0_19:1)+HCOO	Cer(t36:1)+HCOO	Cer	(t17:0_19:1)	(t17:0)	(19:1)	626.5365125	C37 H72 O6 N1
Cer(t17:0_24:0+O)+HCOO	Cer(t41:0+O)+HCOO	Cer	(t17:0_24:0+O)	(t17:0)	(24:0+O)	714.6253275	C42 H84 O7 N1
Cer(t17:0_25:0+O)+HCOO	Cer(t42:0+O)+HCOO	Cer	(t17:0_25:0+O)	(t17:0)	(25:0+O)	728.6409775	C43 H86 O7 N1
Cer(t17:1_15:0)+HCOO	Cer(t32:1)+HCOO	Cer	(t17:1_15:0)	(t17:1)	(15:0)	570.4739125	C33 H64 O6 N1
Cer(t17:1_16:1)+HCOO	Cer(t33:2)+HCOO	Cer	(t17:1_16:1)	(t17:1)	(16:1)	582.4739125	C34 H64 O6 N1
Cer(t17:1_18:1)+HCOO	Cer(t35:2)+HCOO	Cer	(t17:1_18:1)	(t17:1)	(18:1)	610.5052125	C36 H68 O6 N1
Cer(t17:1_23:0+O)+HCOO	Cer(t40:1+O)+HCOO	Cer	(t17:1_23:0+O)	(t17:1)	(23:0+O)	698.5940275	C41 H80 O7 N1
Cer(t17:1_24:1)+HCOO	Cer(t41:2)+HCOO	Cer	(t17:1_24:1)	(t17:1)	(24:1)	694.5991125	C42 H80 O6 N1
Cer(t17:1_25:0+O)+HCOO	Cer(t42:1+O)+HCOO	Cer	(t17:1_25:0+O)	(t17:1)	(25:0+O)	726.6253275	C43 H84 O7 N1
Cer(t18:0_16:0)+HCOO	Cer(t34:0)+HCOO	Cer	(t18:0_16:0)	(t18:0)	(16:0)	600.5208625	C35 H70 O6 N1
Cer(t18:0_18:0+O)+HCOO	Cer(t36:0+O)+HCOO	Cer	(t18:0_18:0+O)	(t18:0)	(18:0+O)	644.5470775	C37 H74 O7 N1
Cer(t18:0_18:1)+HCOO	Cer(t36:1)+HCOO	Cer	(t18:0_18:1)	(t18:0)	(18:1)	626.5365125	C37 H72 O6 N1
Cer(t18:0_20:0)+HCOO	Cer(t38:0)+HCOO	Cer	(t18:0_20:0)	(t18:0)	(20:0)	656.5834625	C39 H78 O6 N1
Cer(t18:0_20:0+O)+HCOO	Cer(t38:0+O)+HCOO	Cer	(t18:0_20:0+O)	(t18:0)	(20:0+O)	672.5783775	C39 H78 O7 N1
Cer(t18:0_22:0)+HCOO	Cer(t40:0)+HCOO	Cer	(t18:0_22:0)	(t18:0)	(22:0)	684.6147625	C41 H82 O6 N1
Cer(t18:0_23:0)+HCOO	Cer(t41:0)+HCOO	Cer	(t18:0_23:0)	(t18:0)	(23:0)	698.6304125	C42 H84 O6 N1
Cer(t18:0_24:0)+HCOO	Cer(t42:0)+HCOO	Cer	(t18:0_24:0)	(t18:0)	(24:0)	712.6460625	C43 H86 O6 N1
Cer(t18:0_24:1)+HCOO	Cer(t42:1)+HCOO	Cer	(t18:0_24:1)	(t18:0)	(24:1)	710.6304125	C43 H84 O6 N1
Cer(t18:0_24:2)+HCOO	Cer(t42:2)+HCOO	Cer	(t18:0_24:2)	(t18:0)	(24:2)	708.6147625	C43 H82 O6 N1
Cer(t18:0_25:0)+HCOO	Cer(t43:0)+HCOO	Cer	(t18:0_25:0)	(t18:0)	(25:0)	726.6617125	C44 H88 O6 N1
Cer(t18:0_25:0+O)+HCOO	Cer(t43:0+O)+HCOO	Cer	(t18:0_25:0+O)	(t18:0)	(25:0+O)	742.6566275	C44 H88 O7 N1
Cer(t18:0_26:0)+HCOO	Cer(t44:0)+HCOO	Cer	(t18:0_26:0)	(t18:0)	(26:0)	740.6773625	C45 H90 O6 N1
Cer(t18:0_26:0+O)+HCOO	Cer(t44:0+O)+HCOO	Cer	(t18:0_26:0+O)	(t18:0)	(26:0+O)	756.6722775	C45 H90 O7 N1
Cer(t18:1_14:0)+HCOO	Cer(t32:1)+HCOO	Cer	(t18:1_14:0)	(t18:1)	(14:0)	570.4739125	C33 H64 O6 N1
Cer(t18:1_15:0)+HCOO	Cer(t33:1)+HCOO	Cer	(t18:1_15:0)	(t18:1)	(15:0)	584.4895625	C34 H66 O6 N1
Cer(t18:1_16:0)+HCOO	Cer(t34:1)+HCOO	Cer	(t18:1_16:0)	(t18:1)	(16:0)	598.5052125	C35 H68 O6 N1
Cer(t18:1_22:0)+HCOO	Cer(t40:1)+HCOO	Cer	(t18:1_22:0)	(t18:1)	(22:0)	682.5991125	C41 H80 O6 N1
Cer(t18:1_24:1)+HCOO	Cer(t42:2)+HCOO	Cer	(t18:1_24:1)	(t18:1)	(24:1)	708.6147625	C43 H82 O6 N1
Cer(t18:1_26:0)+HCOO	Cer(t44:1)+HCOO	Cer	(t18:1_26:0)	(t18:1)	(26:0)	738.6617125	C45 H88 O6 N1
Cer(t18:1_26:0+O)+HCOO	Cer(t44:1+O)+HCOO	Cer	(t18:1_26:0+O)	(t18:1)	(26:0+O)	754.6566275	C45 H88 O7 N1
Cer(t20:0_16:0)+HCOO	Cer(t36:0)+HCOO	Cer	(t20:0_16:0)	(t20:0)	(16:0)	628.5521625	C37 H74 O6 N1
Cer(t20:0_25:0)+HCOO	Cer(t45:0)+HCOO	Cer	(t20:0_25:0)	(t20:0)	(25:0)	754.6930125	C46 H92 O6 N1
Cer(t20:0_26:0)+HCOO	Cer(t46:0)+HCOO	Cer	(t20:0_26:0)	(t20:0)	(26:0)	768.7086625	C47 H94 O6 N1
Cer(t20:1_17:0)+HCOO	Cer(t37:1)+HCOO	Cer	(t20:1_17:0)	(t20:1)	(17:0)	640.5521625	C38 H74 O6 N1
Hex1Cer(d18:1_16:0)+HCOO	Hex1Cer(d34:1)+HCOO	Hex1Cer	(d18:1_16:0)	(d18:1)	(16:0)	744.5631225	C41 H78 O10 N1
Hex1Cer(d18:1_22:0)+HCOO	Hex1Cer(d40:1)+HCOO	Hex1Cer	(d18:1_22:0)	(d18:1)	(22:0)	828.6570225	C47 H90 O10 N1
Hex1Cer(d18:1_23:0)+HCOO	Hex1Cer(d41:1)+HCOO	Hex1Cer	(d18:1_23:0)	(d18:1)	(23:0)	842.6726725	C48 H92 O10 N1
Hex1Cer(d18:1_24:0)+HCOO	Hex1Cer(d42:1)+HCOO	Hex1Cer	(d18:1_24:0)	(d18:1)	(24:0)	856.6883225	C49 H94 O10 N1
Hex1Cer(d18:1_24:1)+HCOO	Hex1Cer(d42:2)+HCOO	Hex1Cer	(d18:1_24:1)	(d18:1)	(24:1)	854.6726725	C49 H92 O10 N1
Hex2Cer(d16:0_18:1)+HCOO	Hex2Cer(d34:1)+HCOO	Hex2Cer	(d16:0_18:1)	(d16:0)	(18:1)	906.6159475	C47 H88 O15 N1
Hex2Cer(d18:1_24:0)+HCOO	Hex2Cer(d42:1)+HCOO	Hex2Cer	(d18:1_24:0)	(d18:1)	(24:0)	1018.741148	C55 H104 O15 N1
Hex2Cer(d18:1_24:1)+HCOO	Hex2Cer(d42:2)+HCOO	Hex2Cer	(d18:1_24:1)	(d18:1)	(24:1)	1016.725498	C55 H102 O15 N1
LPC(14:0)+HCOO	LPC(14:0)+HCOO	LPC	(14:0)	(14:0)		512.2993955	C23 H47 O9 N1 P1
LPC(15:0)+HCOO	LPC(15:0)+HCOO	LPC	(15:0)	(15:0)		526.3150455	C24 H49 O9 N1 P1
LPC(16:0)+HCOO	LPC(16:0)+HCOO	LPC	(16:0)	(16:0)		540.3306955	C25 H51 O9 N1 P1
LPC(16:0)-CH3	LPC(16:0)-CH3	LPC	(16:0)	(16:0)		480.3095655	C23 H47 O7 N1 P1
LPC(16:1)+HCOO	LPC(16:1)+HCOO	LPC	(16:1)	(16:1)		538.3150455	C25 H49 O9 N1 P1
LPC(17:0)+HCOO	LPC(17:0)+HCOO	LPC	(17:0)	(17:0)		554.3463455	C26 H53 O9 N1 P1
LPC(18:0)+HCOO	LPC(18:0)+HCOO	LPC	(18:0)	(18:0)		568.3619955	C27 H55 O9 N1 P1
LPC(18:1)+HCOO	LPC(18:1)+HCOO	LPC	(18:1)	(18:1)		566.3463455	C27 H53 O9 N1 P1
LPC(18:2)+HCOO	LPC(18:2)+HCOO	LPC	(18:2)	(18:2)		564.3306955	C27 H51 O9 N1 P1
LPC(19:0)+HCOO	LPC(19:0)+HCOO	LPC	(19:0)	(19:0)		582.3776455	C28 H57 O9 N1 P1
LPC(20:4)+HCOO	LPC(20:4)+HCOO	LPC	(20:4)	(20:4)		588.3306955	C29 H51 O9 N1 P1
LPE(16:0)-H	LPE(16:0)-H	LPE	(16:0)	(16:0)		452.2782655	C21 H43 O7 N1 P1
LPE(16:1e)-H	LPE(16:1e)-H	LPE	(16:1e)	(16:1e)		436.2833505	C21 H43 O6 N1 P1
LPE(18:0)-H	LPE(18:0)-H	LPE	(18:0)	(18:0)		480.3095655	C23 H47 O7 N1 P1
LPE(18:1)-H	LPE(18:1)-H	LPE	(18:1)	(18:1)		478.2939155	C23 H45 O7 N1 P1
LPE(18:1e)-H	LPE(18:1e)-H	LPE	(18:1e)	(18:1e)		464.3146505	C23 H47 O6 N1 P1
LPE(18:2)-H	LPE(18:2)-H	LPE	(18:2)	(18:2)		476.2782655	C23 H43 O7 N1 P1
LPE(18:2e)-H	LPE(18:2e)-H	LPE	(18:2e)	(18:2e)		462.2990005	C23 H45 O6 N1 P1
LPI(18:0)-H	LPI(18:0)-H	LPI	(18:0)	(18:0)		599.3201915	C27 H52 O12 N0 P1
LPS(18:0)-H	LPS(18:0)-H	LPS	(18:0)	(18:0)		524.2993955	C24 H47 O9 N1 P1
PC(16:0_14:0)+HCOO	PC(30:0)+HCOO	PC	(16:0_14:0)	(16:0)	(14:0)	750.5290605	C39 H77 O10 N1 P1
PC(16:0_16:0)+HCOO	PC(32:0)+HCOO	PC	(16:0_16:0)	(16:0)	(16:0)	778.5603605	C41 H81 O10 N1 P1
PC(16:0_16:1)+HCOO	PC(32:1)+HCOO	PC	(16:0_16:1)	(16:0)	(16:1)	776.5447105	C41 H79 O10 N1 P1
PC(16:0_18:1)+HCOO	PC(34:1)+HCOO	PC	(16:0_18:1)	(16:0)	(18:1)	804.5760105	C43 H83 O10 N1 P1
PC(16:0_18:2)+HCOO	PC(34:2)+HCOO	PC	(16:0_18:2)	(16:0)	(18:2)	802.5603605	C43 H81 O10 N1 P1
PC(16:0_20:4)+HCOO	PC(36:4)+HCOO	PC	(16:0_20:4)	(16:0)	(20:4)	826.5603605	C45 H81 O10 N1 P1
PC(16:1_14:0)-CH3	PC(30:1)-CH3	PC	(16:1_14:0)	(16:1)	(14:0)	688.4922805	C37 H71 O8 N1 P1
PC(16:1_18:2)+HCOO	PC(34:3)+HCOO	PC	(16:1_18:2)	(16:1)	(18:2)	800.5447105	C43 H79 O10 N1 P1
PC(16:1e_16:0)+HCOO	PC(32:1e)+HCOO	PC	(16:1e_16:0)	(16:1e)	(16:0)	762.5654455	C41 H81 O9 N1 P1
PC(16:1e_20:4)+HCOO	PC(36:5e)+HCOO	PC	(16:1e_20:4)	(16:1e)	(20:4)	810.5654455	C45 H81 O9 N1 P1
PC(18:0_16:0)+HCOO	PC(34:0)+HCOO	PC	(18:0_16:0)	(18:0)	(16:0)	806.5916605	C43 H85 O10 N1 P1
PC(18:0_18:1)+HCOO	PC(36:1)+HCOO	PC	(18:0_18:1)	(18:0)	(18:1)	832.6073105	C45 H87 O10 N1 P1
PC(18:0_18:2)+HCOO	PC(36:2)+HCOO	PC	(18:0_18:2)	(18:0)	(18:2)	830.5916605	C45 H85 O10 N1 P1
PC(18:0_20:4)+HCOO	PC(38:4)+HCOO	PC	(18:0_20:4)	(18:0)	(20:4)	854.5916605	C47 H85 O10 N1 P1
PC(18:1_18:1)+HCOO	PC(36:2)+HCOO	PC	(18:1_18:1)	(18:1)	(18:1)	830.5916605	C45 H85 O10 N1 P1
PC(18:1_18:2)+HCOO	PC(36:3)+HCOO	PC	(18:1_18:2)	(18:1)	(18:2)	828.5760105	C45 H83 O10 N1 P1
PC(18:1e_16:0)+HCOO	PC(34:1e)+HCOO	PC	(18:1e_16:0)	(18:1e)	(16:0)	790.5967455	C43 H85 O9 N1 P1
PC(18:2_18:2)+HCOO	PC(36:4)+HCOO	PC	(18:2_18:2)	(18:2)	(18:2)	826.5603605	C45 H81 O10 N1 P1
PC(19:1_18:1)+HCOO	PC(37:2)+HCOO	PC	(19:1_18:1)	(19:1)	(18:1)	844.6073105	C46 H87 O10 N1 P1
PC(19:1_18:1)-CH3	PC(37:2)-CH3	PC	(19:1_18:1)	(19:1)	(18:1)	784.5861805	C44 H83 O8 N1 P1
PC(19:1_19:1)+HCOO	PC(38:2)+HCOO	PC	(19:1_19:1)	(19:1)	(19:1)	858.6229605	C47 H89 O10 N1 P1
PE(15:0_16:0)-H	PE(31:0)-H	PE	(15:0_16:0)	(15:0)	(16:0)	676.4922805	C36 H71 O8 N1 P1
PE(15:0_18:1)-H	PE(33:1)-H	PE	(15:0_18:1)	(15:0)	(18:1)	702.5079305	C38 H73 O8 N1 P1
PE(16:0_16:0)-H	PE(32:0)-H	PE	(16:0_16:0)	(16:0)	(16:0)	690.5079305	C37 H73 O8 N1 P1
PE(16:0_16:1)-H	PE(32:1)-H	PE	(16:0_16:1)	(16:0)	(16:1)	688.4922805	C37 H71 O8 N1 P1
PE(16:0_18:1)-H	PE(34:1)-H	PE	(16:0_18:1)	(16:0)	(18:1)	716.5235805	C39 H75 O8 N1 P1
PE(16:0_19:0)-H	PE(35:0)-H	PE	(16:0_19:0)	(16:0)	(19:0)	732.5548805	C40 H79 O8 N1 P1
PE(16:1_14:0)-H	PE(30:1)-H	PE	(16:1_14:0)	(16:1)	(14:0)	660.4609805	C35 H67 O8 N1 P1
PE(16:1_16:1)-H	PE(32:2)-H	PE	(16:1_16:1)	(16:1)	(16:1)	686.4766305	C37 H69 O8 N1 P1
PE(16:1_18:1)-H	PE(34:2)-H	PE	(16:1_18:1)	(16:1)	(18:1)	714.5079305	C39 H73 O8 N1 P1
PE(16:1_19:0)-H	PE(35:1)-H	PE	(16:1_19:0)	(16:1)	(19:0)	730.5392305	C40 H77 O8 N1 P1
PE(16:1e_20:4)-H	PE(36:5e)-H	PE	(16:1e_20:4)	(16:1e)	(20:4)	722.5130155	C41 H73 O7 N1 P1
PE(17:1_15:0)-H	PE(32:1)-H	PE	(17:1_15:0)	(17:1)	(15:0)	688.4922805	C37 H71 O8 N1 P1
PE(17:1_16:0)-H	PE(33:1)-H	PE	(17:1_16:0)	(17:1)	(16:0)	702.5079305	C38 H73 O8 N1 P1
PE(18:0_18:1)-H	PE(36:1)-H	PE	(18:0_18:1)	(18:0)	(18:1)	744.5548805	C41 H79 O8 N1 P1
PE(18:0_20:4)-H	PE(38:4)-H	PE	(18:0_20:4)	(18:0)	(20:4)	766.5392305	C43 H77 O8 N1 P1
PE(18:1_18:1)-H	PE(36:2)-H	PE	(18:1_18:1)	(18:1)	(18:1)	742.5392305	C41 H77 O8 N1 P1
PE(18:1e_20:4)-H	PE(38:5e)-H	PE	(18:1e_20:4)	(18:1e)	(20:4)	750.5443155	C43 H77 O7 N1 P1
PE(18:2_18:2)-H	PE(36:4)-H	PE	(18:2_18:2)	(18:2)	(18:2)	738.5079305	C41 H73 O8 N1 P1
PE(19:1_16:0)-H	PE(35:1)-H	PE	(19:1_16:0)	(19:1)	(16:0)	730.5392305	C40 H77 O8 N1 P1
PE(19:1_18:1)-H	PE(37:2)-H	PE	(19:1_18:1)	(19:1)	(18:1)	756.5548805	C42 H79 O8 N1 P1
PE(19:1_19:1)-H	PE(38:2)-H	PE	(19:1_19:1)	(19:1)	(19:1)	770.5705305	C43 H81 O8 N1 P1
PE(19:1_20:1)-H	PE(39:2)-H	PE	(19:1_20:1)	(19:1)	(20:1)	784.5861805	C44 H83 O8 N1 P1
PG(15:0_15:0)-H	PG(30:0)-H	PG	(15:0_15:0)	(15:0)	(15:0)	693.4712115	C36 H70 O10 N0 P1
PG(15:0_16:0)-H	PG(31:0)-H	PG	(15:0_16:0)	(15:0)	(16:0)	707.4868615	C37 H72 O10 N0 P1
PG(15:0_17:0)-H	PG(32:0)-H	PG	(15:0_17:0)	(15:0)	(17:0)	721.5025115	C38 H74 O10 N0 P1
PG(16:0_16:0)-H	PG(32:0)-H	PG	(16:0_16:0)	(16:0)	(16:0)	721.5025115	C38 H74 O10 N0 P1
PG(16:0_16:1)-H	PG(32:1)-H	PG	(16:0_16:1)	(16:0)	(16:1)	719.4868615	C38 H72 O10 N0 P1
PG(16:0_18:1)-H	PG(34:1)-H	PG	(16:0_18:1)	(16:0)	(18:1)	747.5181615	C40 H76 O10 N0 P1
PG(17:1_16:0)-H	PG(33:1)-H	PG	(17:1_16:0)	(17:1)	(16:0)	733.5025115	C39 H74 O10 N0 P1
PG(18:0_18:1)-H	PG(36:1)-H	PG	(18:0_18:1)	(18:0)	(18:1)	775.5494615	C42 H80 O10 N0 P1
PG(18:1_18:1)-H	PG(36:2)-H	PG	(18:1_18:1)	(18:1)	(18:1)	773.5338115	C42 H78 O10 N0 P1
PG(19:1_18:1)-H	PG(37:2)-H	PG	(19:1_18:1)	(19:1)	(18:1)	787.5494615	C43 H80 O10 N0 P1
PI(16:0_16:0)-H	PI(32:0)-H	PI	(16:0_16:0)	(16:0)	(16:0)	809.5185565	C41 H78 O13 N0 P1
PI(16:0_17:0)-H	PI(33:0)-H	PI	(16:0_17:0)	(16:0)	(17:0)	823.5342065	C42 H80 O13 N0 P1
PI(16:0_18:1)-H	PI(34:1)-H	PI	(16:0_18:1)	(16:0)	(18:1)	835.5342065	C43 H80 O13 N0 P1
PI(16:0_19:0)-H	PI(35:0)-H	PI	(16:0_19:0)	(16:0)	(19:0)	851.5655065	C44 H84 O13 N0 P1
PI(17:0_17:0)-H	PI(34:0)-H	PI	(17:0_17:0)	(17:0)	(17:0)	837.5498565	C43 H82 O13 N0 P1
PI(18:0_20:4)-H	PI(38:4)-H	PI	(18:0_20:4)	(18:0)	(20:4)	885.5498565	C47 H82 O13 N0 P1
PS(18:0_18:1)-H	PS(36:1)-H	PS	(18:0_18:1)	(18:0)	(18:1)	788.5447105	C42 H79 O10 N1 P1
METABOLITES_END
#END