#METABOLOMICS WORKBENCH sbhattacharya_20170403_140246_mwtab.txt DATATRACK_ID:876 STUDY_ID:ST000580 ANALYSIS_ID:AN000891 PROJECT_ID:PR000425
VERSION             	1
CREATED_ON             	April 5, 2017, 6:08 pm
#PROJECT
PR:PROJECT_TITLE                 	Phosphatidylserine Analysis of Aqueous Humor and Trabecular Meshwork in DBA/2J
PR:PROJECT_TITLE                 	mice
PR:PROJECT_SUMMARY               	Compared Phosphatidylserine (PS) profiles within aqueous humor (AH) and
PR:PROJECT_SUMMARY               	trabecular meshwork (TM) of normotensive and hypertensive DBA/2J mice using
PR:PROJECT_SUMMARY               	direct infusion triple quadrupole mass spectrometry.
PR:INSTITUTE                     	University of Miami
PR:LAST_NAME                     	Bhattacharya
PR:FIRST_NAME                    	Sanjoy
PR:ADDRESS                       	McKnight Vision Research Building, Bascom Palmer Eye Institute, University of
PR:ADDRESS                       	Miami Miller School of Medicine, 1638 NW 10th Avenue, Room 706A, Miami, Florida
PR:ADDRESS                       	33136
PR:EMAIL                         	Sbhattacharya@med.miami.edu
PR:PHONE                         	305-482-4103
#STUDY
ST:STUDY_TITLE                   	DBA2J Phosphatidylethserine Analysis
ST:STUDY_SUMMARY                 	AH and TM samples were obtained from young-normotensive DBA/2J (3 and 7.5
ST:STUDY_SUMMARY                 	months) and old-hypertensive DBA/2J mice (8-8.5, 10 and 12 month). Lipids were
ST:STUDY_SUMMARY                 	extracted using modified Bligh and Dyer method and subjected to mass
ST:STUDY_SUMMARY                 	spectrometric identification using appropriate class-specific lipid standards
ST:STUDY_SUMMARY                 	and ratiometric quantification. Corresponding aqueous phase (of extraction)
ST:STUDY_SUMMARY                 	protein concentrations were measured using Bradford method.
ST:INSTITUTE                     	University of Miami
ST:LAST_NAME                     	Bhattacharya
ST:FIRST_NAME                    	Sanjoy
ST:ADDRESS                       	McKnight Vision Research Building, Bascom Palmer Eye Institute, University of
ST:ADDRESS                       	Miami Miller School of Medicine, 1638 NW 10th Avenue, Room 706A, Miami, Florida
ST:ADDRESS                       	33136
ST:EMAIL                         	SBhattacharya@med.miami.edu
ST:PHONE                         	305-482-4103
#SUBJECT
SU:SUBJECT_TYPE                  	Animal
SU:SUBJECT_SPECIES               	Mus musculus
SU:TAXONOMY_ID                   	10090
SU:GENOTYPE_STRAIN               	DBA/2J
#SUBJECT_SAMPLE_FACTORS:         	SUBJECT(optional)[tab]SAMPLE[tab]FACTORS(NAME:VALUE pairs separated by |)[tab]Additional sample data
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 3M MTML5	Tissue Location:TM | Sex:Male | Phenotype:Normotensive	Age (months)=3; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 7.5M MTML6	Tissue Location:TM | Sex:Male | Phenotype:Normotensive	Age (months)=7.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 8-8.5M MTM2L8	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Age (months)=8-8.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 10M MTML2	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Age (months)=10; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 12M MTML6	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Age (months)=12; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 3M MAHL5	Tissue Location:AH | Sex:Male | Phenotype:Normotensive	Age (months)=3; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 7.5M MAHL6	Tissue Location:AH | Sex:Male | Phenotype:Normotensive	Age (months)=7.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 8-8.5M MAH2L5	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Age (months)=8-8.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 10M MAHL4	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Age (months)=10; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 12M MAHL6	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Age (months)=12; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 3M FTML3	Tissue Location:TM | Sex:Female | Phenotype:Normotensive	Age (months)=3; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 7.5M FTM2L5	Tissue Location:TM | Sex:Female | Phenotype:Normotensive	Age (months)=7.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 8-8.5M FTM3L6	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Age (months)=8-8.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 10M FTML2	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Age (months)=10; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 12M FTML6	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Age (months)=12; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 3M FAH2L7	Tissue Location:AH | Sex:Female | Phenotype:Normotensive	Age (months)=3; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 7.5M FAH2L6	Tissue Location:AH | Sex:Female | Phenotype:Normotensive	Age (months)=7.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 8-8.5M FAH3L8	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive	Age (months)=8-8.5; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 10M FAHL3	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive	Age (months)=10; Lipid Class=PS
SUBJECT_SAMPLE_FACTORS           	-	DBA2J 12M FAHL6	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive	Age (months)=12; Lipid Class=PS
#COLLECTION
CO:COLLECTION_SUMMARY            	DBA/2J mice were anesthetized by an intraperitoneal injection of a cocktail of
CO:COLLECTION_SUMMARY            	Ketamine and Xylazine. A drop of tetracaine hydrochloride ophthalmic solution
CO:COLLECTION_SUMMARY            	(0.5%, Bausch & Lomb, USA) was used to anesthetize the ocular surface prior to
CO:COLLECTION_SUMMARY            	AH procurement. Normotensive and hypertensive AH was obtained from the anterior
CO:COLLECTION_SUMMARY            	chamber of DBA/2J mice via paracentesis using a syringe (catalog no. 7635-01
CO:COLLECTION_SUMMARY            	Hamilton, Reno, Nevada) with a small 33 gauge removable needle (701RN, catalog
CO:COLLECTION_SUMMARY            	no. 7803-05 Hamilton). TM samples were obtained through surgical removal after
CO:COLLECTION_SUMMARY            	euthanization with carbon dioxide and adhering to animal procedures approved by
CO:COLLECTION_SUMMARY            	the IACUC.
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment was performed on the mice.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	A total of ~3 μl of AH and ∼0.5-1 mm3 of TM per mice was used for
SP:SAMPLEPREP_SUMMARY            	phospholipid extraction using modified Bligh and Dyer extraction method[13,14].
SP:SAMPLEPREP_SUMMARY            	Phospholipids extracted in the lower organic phase were dried using a Speed-Vac
SP:SAMPLEPREP_SUMMARY            	(Model 7810014; Labconco, Kansas City, MO), and then flushed with argon gas for
SP:SAMPLEPREP_SUMMARY            	oxidation prevention. Proteins procured from the upper aqueous phase were
SP:SAMPLEPREP_SUMMARY            	quantified using a suitable modification of Bradford’s method.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	None
CH:INSTRUMENT_NAME               	TSQ Quantum Access Max
CH:COLUMN_NAME                   	None
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:MS_COMMENTS                   	-
MS:INSTRUMENT_NAME               	Thermo Quantiva Access Max
MS:INSTRUMENT_TYPE               	Triple quadrupole
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	NEGATIVE
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS         	pmol/ ug of protein
MS_METABOLITE_DATA_START
Samples	DBA2J 3M MTML5	DBA2J 7.5M MTML6	DBA2J 8-8.5M MTM2L8	DBA2J 10M MTML2	DBA2J 12M MTML6	DBA2J 3M MAHL5	DBA2J 7.5M MAHL6	DBA2J 8-8.5M MAH2L5	DBA2J 10M MAHL4	DBA2J 12M MAHL6	DBA2J 3M FTML3	DBA2J 7.5M FTM2L5	DBA2J 8-8.5M FTM3L6	DBA2J 10M FTML2	DBA2J 12M FTML6	DBA2J 3M FAH2L7	DBA2J 7.5M FAH2L6	DBA2J 8-8.5M FAH3L8	DBA2J 10M FAHL3	DBA2J 12M FAHL6
Factors	Tissue Location:TM | Sex:Male | Phenotype:Normotensive	Tissue Location:TM | Sex:Male | Phenotype:Normotensive	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Tissue Location:TM | Sex:Male | Phenotype:Hypertensive	Tissue Location:AH | Sex:Male | Phenotype:Normotensive	Tissue Location:AH | Sex:Male | Phenotype:Normotensive	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Tissue Location:AH | Sex:Male | Phenotype:Hypertensive	Tissue Location:TM | Sex:Female | Phenotype:Normotensive	Tissue Location:TM | Sex:Female | Phenotype:Normotensive	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Tissue Location:TM | Sex:Female | Phenotype:Hypertensive	Tissue Location:AH | Sex:Female | Phenotype:Normotensive	Tissue Location:AH | Sex:Female | Phenotype:Normotensive	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive	Tissue Location:AH | Sex:Female | Phenotype:Hypertensive
PS(14:0/0:0)	5.132732006	94.56205212			33.10611826		23.095493			1.963077086		50.24335915			7.482549698	0.885566589	23.23852873	3.320926817		7.545918523
PS(18:3(6Z,9Z,12Z)/0:0)	7.640431081	3.533754336																		
PS(18:2(9Z,12Z)/0:0)	57.4548035		0.106690015		43.69404344	4.073507961						1.954551176		85.02898165		6.43526193	23.21452061			0.173479368
PS(22:4(7Z,10Z,13Z,16Z)/0:0)	69.48652608	3.198091963										28.57392302						16.88253416		
PS(22:1(11Z)/0:0)	2.855690571	4.625473286			13.28805267		6.928030484		1.848434062	1.833250255	41.83991039		9.356505187	21.30547166	1.031557217		19.47809416	5.500038125		
PS(22:0/0:0)	12.46204414	4.252036449					5.397566525		11.83222689							2.244101848			0.248540822	
PS(12:0/12:0)	7.892270044	14.50192469					4.203745102	2.627508011	47.17245336									10.10773599		
PS(12:0/14:1(9Z))	77.20428346	12.80877922		5.501921068	31.57370272				152.8957001	52.51664571		18.95983717	0.805361177	6.689982648	0.714835447	2.349871714	25.08101357		0.248987621	
PS(18:2(9Z,12Z)/18:2(9Z,12Z))	17.15393387	11.18940433	0.554483571	10.9375353	32.84039524	2.524990661	0.633485131		21.93137452			2.133077674	0.645554392						2.426791928	5.07141414
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	56.30085178	4.969733955	9.226036609	8.729924897											46.1851439					
PS(18:0/20:4(5Z,8Z,11Z,14Z))	9.647398727	28.38698734	16.92073921	35.00881133	40.39578907		26.24693562		167.48303		65.65149338	57.05591137	31.86601425	62.6884007	53.15266519				2.496220208	
PS(16:0/22:1(11Z))	19.58293978	11.45874859					3.229113354		284.4612883	145.6280375	98.91489832		9.284979155	51.18529122	8.089556283			0.197280704		
PS(17:0/22:4(7Z,10Z,13Z,16Z))	33.24222284	8.584468915	10.59377609	2.422568217						79.75812134										
PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	93.93060291												18.81660019					21.36707055		
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))	169.7768479	17.03287949	54.40286436	25.77106852	71.72205081		43.71585626		62.19676095		46.80784903		12.28989025	80.49390282	13.99101979					
PS(18:1(9Z)/22:2(13Z,16Z))	69.58565937		11.71873769	26.75050848																
PS(19:0/22:4(7Z,10Z,13Z,16Z))	22.19149631	9.066998779	6.107437964				12.24607404	3.831379944	32.51917233				20.3509241		17.57653679					
PS(19:0/22:0)	12.82312752	15.70183498	49.10612804	30.24623875	16.28996521		29.80535188		97.23737518				20.50541432	36.84605586	54.86054149			2.489014055	0.183988867	20.87835339
PS(20:0/22:4(7Z,10Z,13Z,16Z))	9.868545582	9.490440371	16.04985055	11.56098391	63.39888155				45.12141309									6.364443669		5.671021233
PS(20:0/22:1(11Z))	75.89143459		1.538007273	2.352348882			66.15575357			39.43813315										
PS(12:0/0:0)		5.482912552			77.21033583	7.380548303	1.701002154			178.4261462		28.06969803		43.71589023	64.95083677	14.14531662	49.19939666	22.65721748		49.31579111
PS(6:0/6:0)		7.649389723				0.574769674				76.94406107		41.50567665		37.27460798	21.93379173	3.283823102	37.43996066	11.5464463		
PS(14:1(9Z)/0:0)		10.01809995								25.72598134										
PS(15:1(9Z)/0:0)		7.680535012			36.01387501		0.198312283	2.982190529		44.12956331				14.78456173	18.16513669	9.843825186	56.87744195	17.41066238		0.17989083
PS(15:0/0:0)		2.567715111										2.065955383								
PS(16:0/0:0)		10.1640241				7.131363689	5.269220054			3.973116651	111.6934465	56.40636329	0.869965194	113.2382435	33.48100951	0.063434136	29.72367976	7.686163706		
PS(17:2(9Z,12Z)/0:0)		7.934558675	18.36132418			2.718236358		1.432211763								0.943481548		4.996340229	0.260449258	
PS(8:0/8:0)		5.618765478	0.630555605	4.040066369	17.89320236			4.364073797	3.404186526	53.69103368		26.71533633	4.831695334	40.44697397	23.97162564	3.462871477	54.44895975	4.050111781		11.15671233
PS(18:4(6Z,9Z,12Z,15Z)/0:0)		7.888078021			11.83232787	13.77215497	1.922814415								9.807289605					
PS(18:1(9Z)/0:0)		23.54122516				7.378329761	13.60580981	0.742847159		188.8139867			0.629026605		82.30933081	11.65810622	92.4790879	5.534373229		17.5578019
PS(18:0/0:0)		10.16502436								24.50315905			4.872041985							1.568057335
PS(19:1(9Z)/0:0)		11.0440117		13.32872917	43.83077355	2.466765303	69.94128868					30.18202197				3.215612628	67.7005707			1.002257604
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)		2.457356462	0.708592051				0.283701611		1.303382916					37.11357332		1.972957052				
PS(20:4(5Z,8Z,11Z,14Z)/0:0)		10.93403304	0.133918575			2.667854299	26.8095827			35.94544634				21.38560283	25.67323896	5.279775505	71.42241646	11.30434011	0.827913237	14.07834159
PS(20:1(11Z)/0:0)		15.87597225			2.06174461		8.615138256					50.29926344					33.26125776			
PS(20:0/0:0)		2.429295412							7.057676021	159.9538057		38.15333167	0.998256887		13.75187322		13.76178775	0.655341212	0.043020398	37.98339868
PS(10:0/10:0)		12.02915175	6.708903794	0.827672997	43.93314699	6.107545957	6.989772329		9.495668336		7.600013864	46.2566208	0.135588491		47.89117217					3.867863395
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)		8.48681951										2.834948446					31.45939817			
PS(12:0/13:0)		13.881222		27.94147409	55.43833867								15.00574231	13.93286223		4.501163343	22.73393718			
PS(12:0/15:1(9Z))		2.171274052																		
PS(12:0/15:0)		6.091300022					7.908530353		8.284820778	151.9800349								8.134648054	0.309965394	
PS(14:1(9Z)/14:1(9Z))		4.150081612																		
PS(12:0/16:1(9Z))		3.43353972	4.208354908							129.4186014					0.607506011	1.524441237				
PS(14:0/14:0)		10.63364138	11.49682463		2.044928701				20.55578425								27.23269236		0.051204634	22.64487099
PS(12:0/17:2(9Z,12Z))		19.48253379																3.52836734		
PS(12:0/17:0)		12.29800786					4.680862045			23.96837187	87.65377454	55.03782949			32.69378763					
PS(12:0/18:2(9Z,12Z))		5.714123278											10.48865784		9.540225437		8.425876171			
PS(13:0/17:1(9Z))		5.916880384					35.70401428													
PS(17:0/14:1(9Z))		4.459988909									134.6439973					0.39224588			0.249219696	19.4682314
PS(12:0/19:0)		3.600235115																	0.259358885	
PS(12:0/20:3(8Z,11Z,14Z))		4.369610662																		
PS(12:0/20:2(11Z,14Z))		23.09488849											3.096558883							
PS(16:0/16:0)		50.22153766	10.8012973				49.10950175	1.001525351										5.937002822		23.54032731
PS(13:0/20:4(5Z,8Z,11Z,14Z))		6.810520601																		
PS(13:0/20:3(8Z,11Z,14Z))		1.250412575			67.62169487										6.595642625					9.17068847
PS(13:0/20:2(11Z,14Z))		15.02223064																		
PS(13:0/20:1(11Z))		19.03634021	2.114021132				52.45913177		16.56818123						8.173836607					
PS(12:0/21:0)		4.973453562			33.63844482						38.56359013					3.909459312		2.371500718		
PS(12:0/22:4(7Z,10Z,13Z,16Z))		14.6877406				8.271565168									18.89858594			16.54303396		
PS(16:0/18:1(11Z))		7.759794914			29.68952917								0.664692191		23.43767778		3.404145171			2.591948389
PS(13:0/22:4(7Z,10Z,13Z,16Z))		10.94030826			2.461877502															
PS(13:0/22:0)		7.96277916	1.262645593			4.117070982						106.7203734	1.625923633							
PS(17:0/20:4(5Z,8Z,11Z,14Z))		9.588257213			30.6877682													11.55761362	1.856392051	
PS(17:0/22:2(13Z,16Z))		15.91880323		8.72179644			18.13824371													
PS(18:0/22:2(13Z,16Z))		10.08383446					41.85811084									1.079115679		1.76438795	0.082590289	
PS(18:0/22:1(11Z))		3.216782889		18.56960626			3.004858964		3.552297442	23.64619747			6.630449837		11.69601412	3.205210055	22.43931829		6.254426101	
PS(19:0/21:0)		5.130954552	9.639195033		8.425469029		28.12878609								4.321878068				2.022059688	
PS(19:0/22:2(13Z,16Z))		21.63250356					26.59513589						20.72266912							
PS(20:0/22:2(13Z,16Z))		9.747514201	8.034548664									28.44482168							0.505157209	
PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		7.694385566	16.43645611										0.474423466							
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		17.54593933	15.74056278	145.9724506	0.731147488		1.308561567		72.92236855				43.45507578		46.54461278				2.671279583	
PS(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		15.31774861	5.516316374	89.85733019	1.718696324										24.38559101	8.585212713				
PS(21:0/22:1(11Z))		0.688726718																		
PS(21:0/22:0)		12.53947339	10.53387165	24.60634272			3.449167553		12.88406757				8.621704185			2.942083848		5.838376916	1.543715054	
PS(22:0/22:4(7Z,10Z,13Z,16Z))		15.53038492	32.80375447	54.53713049									4.9090472		33.53044271				0.266929764	
PS(22:0/22:1(11Z))		23.40384379	23.2107467	89.20178316					28.54574088				11.37697992							
PS(12:0/22:2(13Z,16Z))			1.040466917	21.97248845																
PS(13:0/22:2(13Z,16Z))			4.860373879																	
PS(15:0/22:1(11Z))			4.634645772		5.736353214				1.691300631					44.82154428	8.700074611					0.126292971
PS(17:0/22:1(11Z))			9.292814276	28.68836203									14.36697679		29.40422431					17.82710649
PS(19:0/22:1(11Z))			15.18377143	6.554147913					22.55163874	17.97338921									0.257102468	14.21113426
PS(12:0/18:3(6Z,9Z,12Z))				2.004521913			2.394976409										16.09966888			
PS(13:0/22:1(11Z))				13.08919789	0.844151841								6.677425951		34.70596					1.833085632
PS(16:1(9Z)/0:0)					16.07376364	8.681411363												0.831637981		
PS(17:0/21:0)					53.9603971							1.301757281								
PS(18:0/12:0)									251.6467876				4.752150047							
PS(22:0/22:0)									4.965832159				10.83601202		1.646751759					
PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))										55.45110642	20.96590151									
PS(12:0/18:4(6Z,9Z,12Z,15Z))											24.32822979		1.062798606						0.168858144	
PS(12:0/20:4(5Z,8Z,11Z,14Z))											3.23373943									
PS(12:0/20:1(11Z))											28.36468972							1.587545402		
PS(16:0/20:0)													1.34349854							
PS(13:0/18:3(6Z,9Z,12Z))															3.245710055					
PS(18:0/18:1(9Z))																26.56536688				
PS(13:0/18:4(6Z,9Z,12Z,15Z))																		10.30117708		
PS(13:0/18:2(9Z,12Z))																			0.161157888	
PS(22:0/22:2(13Z,16Z))																			2.499264274	
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	retention index	quantified m/z	PubChem ID	KEGG ID
PS(12:0/13:0)		637.3955
PS(17:0/20:4(5Z,8Z,11Z,14Z))		797.5207
PS(21:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		877.5833
PS(17:0/14:1(9Z))		719.4737
PS(16:0/18:1(11Z))		761.5207
PS(6:0/6:0)		455.192
PS(8:0/8:0)		511.2546
PS(10:0/10:0)		567.3172
PS(18:2(9Z,12Z)/18:2(9Z,12Z))		783.505
PS(18:0/18:1(9Z))		789.552
PS(12:0/12:0)		623.3798
PS(14:0/14:0)		679.4424
PS(16:0/16:0)		735.505
PS(16:0/20:0)		791.5676
PS(18:0/20:4(5Z,8Z,11Z,14Z))		811.5363
PS(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		835.5363
PS(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		807.505
PS(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		805.4894
PS(18:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		833.5207
PS(12:0/14:1(9Z))		649.3955
PS(12:0/15:0)		665.4268
PS(12:0/15:1(9Z))		663.4111
PS(12:0/16:1(9Z))		677.4268
PS(12:0/17:0)		693.4581
PS(12:0/17:2(9Z,12Z))		689.4268
PS(12:0/18:2(9Z,12Z))		703.4424
PS(12:0/18:3(6Z,9Z,12Z))		701.4268
PS(12:0/18:4(6Z,9Z,12Z,15Z))		699.4111
PS(12:0/19:0)		721.4894
PS(12:0/20:1(11Z))		733.4894
PS(12:0/20:2(11Z,14Z))		731.4737
PS(12:0/20:3(8Z,11Z,14Z))		729.4581
PS(12:0/20:4(5Z,8Z,11Z,14Z))		727.4424
PS(12:0/21:0)		749.5207
PS(12:0/22:2(13Z,16Z))		759.505
PS(12:0/22:4(7Z,10Z,13Z,16Z))		755.4737
PS(13:0/17:1(9Z))		705.4581
PS(13:0/18:2(9Z,12Z))		717.4581
PS(13:0/18:3(6Z,9Z,12Z))		715.4424
PS(13:0/18:4(6Z,9Z,12Z,15Z))		713.4268
PS(13:0/20:1(11Z))		747.505
PS(13:0/20:2(11Z,14Z))		745.4894
PS(13:0/20:3(8Z,11Z,14Z))		743.4737
PS(13:0/20:4(5Z,8Z,11Z,14Z))		741.4581
PS(13:0/22:0)		777.552
PS(13:0/22:1(11Z))		775.5363
PS(13:0/22:2(13Z,16Z))		773.5207
PS(13:0/22:4(7Z,10Z,13Z,16Z))		769.4894
PS(15:0/22:1(11Z))		803.5676
PS(16:0/22:1(11Z))		817.5833
PS(17:0/21:0)		819.5989
PS(17:0/22:1(11Z))		831.5989
PS(17:0/22:2(13Z,16Z))		829.5833
PS(17:0/22:4(7Z,10Z,13Z,16Z))		825.552
PS(18:0/22:1(11Z))		845.6146
PS(18:0/22:2(13Z,16Z))		843.5989
PS(18:1(9Z)/22:2(13Z,16Z))		841.5833
PS(19:0/21:0)		847.6302
PS(19:0/22:0)		861.6459
PS(19:0/22:1(11Z))		859.6302
PS(19:0/22:2(13Z,16Z))		857.6146
PS(19:0/22:4(7Z,10Z,13Z,16Z))		853.5833
PS(20:0/22:1(11Z))		873.6459
PS(20:0/22:2(13Z,16Z))		871.6302
PS(20:0/22:4(7Z,10Z,13Z,16Z))		867.5989
PS(21:0/22:0)		889.6772
PS(21:0/22:1(11Z))		887.6615
PS(22:0/22:1(11Z))		901.6772
PS(22:0/22:2(13Z,16Z))		899.6615
PS(22:0/22:4(7Z,10Z,13Z,16Z))		895.6302
PS(18:0/12:0)		707.4737
PS(14:1(9Z)/14:1(9Z))		675.4111
PS(22:0/22:0)		903.6928
PS(18:1(9Z)/0:0)		523.291
PS(16:0/0:0)		497.2754
PS(18:0/0:0)		525.3067
PS(20:4(5Z,8Z,11Z,14Z)/0:0)		545.2754
PS(12:0/0:0)		441.2128
PS(14:0/0:0)		469.2441
PS(16:1(9Z)/0:0)		495.2597
PS(18:2(9Z,12Z)/0:0)		521.2754
PS(20:0/0:0)		553.338
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)		569.2754
PS(22:4(7Z,10Z,13Z,16Z)/0:0)		573.3067
PS(15:1(9Z)/0:0)		481.2441
PS(17:2(9Z,12Z)/0:0)		507.2597
PS(18:3(6Z,9Z,12Z)/0:0)		519.2597
PS(18:4(6Z,9Z,12Z,15Z)/0:0)		517.2441
PS(19:1(9Z)/0:0)		537.3067
PS(20:1(11Z)/0:0)		551.3223
PS(22:1(11Z)/0:0)		579.3536
PS(22:0/0:0)		581.3693
PS(20:5(5Z,8Z,11Z,14Z,17Z)/0:0)		543.2597
PS(15:0/0:0)		483.2597
PS(14:1(9Z)/0:0)		467.2284
PS(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		882.5263
PS(22:4(7Z,10Z,13Z,16Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))		882.5263
METABOLITES_END
#END