#METABOLOMICS WORKBENCH chingonwong_20250502_095114 DATATRACK_ID:5880 STUDY_ID:ST003900 ANALYSIS_ID:AN006403 PROJECT_ID:PR002440
VERSION             	1
CREATED_ON             	May 5, 2025, 1:24 pm
#PROJECT
PR:PROJECT_TITLE                 	Loss of tty alters lipid profile in Drosophila brains
PR:PROJECT_SUMMARY               	Tweety homolog 1 (TTYH1) is an understudied protein designated by the
PR:PROJECT_SUMMARY               	Illuminating the Druggable Genome Program of the NIH. While previous studies
PR:PROJECT_SUMMARY               	implicated its functions in neural stem cell signaling and glioma invasion,
PR:PROJECT_SUMMARY               	little is known about the molecular function of TTYH1. Recent cryo-electron
PR:PROJECT_SUMMARY               	microscopy examination of TTYH1 revealed its potential role in transporting
PR:PROJECT_SUMMARY               	membrane lipids, leading to our hypothesis that TTYH1 regulates intracellular
PR:PROJECT_SUMMARY               	lipid homeostasis. Orthologs of TTYH1 have been identified across animal species
PR:PROJECT_SUMMARY               	including worm and fruit fly. Similar to human TTYH1, fly TTYH1 ortholog, named
PR:PROJECT_SUMMARY               	tweety (tty), is also predominantly expressed in the brain. To examine whether
PR:PROJECT_SUMMARY               	TTYH1 exerts its cellular functions via regulating lipid homeostasis, we
PR:PROJECT_SUMMARY               	profiled the lipidome in fruit fly (Drosophila melanogaster) head tissues
PR:PROJECT_SUMMARY               	isolated from wild-type (w^1118 strain) and tty mutant (tty^MI12269 strain)
PR:PROJECT_SUMMARY               	flies.
PR:INSTITUTE                     	Rutgers University Newark
PR:LABORATORY                    	Ching-On Wong
PR:LAST_NAME                     	Wong
PR:FIRST_NAME                    	Ching-On
PR:ADDRESS                       	195 University Avenue, Boyden Hall Room 206, Newark, NJ 07102
PR:EMAIL                         	chingon.wong@rutgers.edu
PR:PHONE                         	9733530832
PR:CONTRIBUTORS                  	Ho Hang Leung, Ching-On Wong, Yujue Wang, Xiaoyang Su
#STUDY
ST:STUDY_TITLE                   	Lipidome profiling of fly head tissues from wild-type and tty mutant flies
ST:STUDY_TITLE                   	(cohort 2)
ST:STUDY_SUMMARY                 	Cohort 2 contained 6 independent lipid samples. Each lipid sample was extracted
ST:STUDY_SUMMARY                 	from a group of 40 fly heads of identical genotype. In total, 3 samples were
ST:STUDY_SUMMARY                 	isolated from each of the 2 genotypes: wild-type (w^1118) and tty mutant
ST:STUDY_SUMMARY                 	(tty^MI12269). Positive-mode LC-MS/MS was performed on the lipid extracts to
ST:STUDY_SUMMARY                 	compare the contents between the two genotypes. The results showed increased
ST:STUDY_SUMMARY                 	levels of triglycerides and diacylglycerides in tty mutants.
ST:INSTITUTE                     	Rutgers University
ST:LAST_NAME                     	Wong
ST:FIRST_NAME                    	Ching-On
ST:ADDRESS                       	195 University Avenue, Boyden Hall Room 206, Newark, NJ 07102
ST:EMAIL                         	chingon.wong@rutgers.edu
ST:PHONE                         	19733530832
ST:NUM_GROUPS                    	2
ST:TOTAL_SUBJECTS                	14
#SUBJECT
SU:SUBJECT_TYPE                  	Invertebrate
SU:SUBJECT_SPECIES               	Drosophila melanogaster
SU:TAXONOMY_ID                   	7227
SU:AGE_OR_AGE_RANGE              	1 week old
SU:GENDER                        	Male and 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           	B1	Fly_w1118_5	Genotype:w-1118 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_w1118_5.mzXML
SUBJECT_SAMPLE_FACTORS           	B2	Fly_w1118_6	Genotype:w-1118 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_w1118_6.mzXML
SUBJECT_SAMPLE_FACTORS           	B3	Fly_w1118_7	Genotype:w-1118 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_w1118_7.mzXML
SUBJECT_SAMPLE_FACTORS           	B4	Fly_tty_5	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_tty_5.mzXML
SUBJECT_SAMPLE_FACTORS           	B5	Fly_tty_6	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_tty_6.mzXML
SUBJECT_SAMPLE_FACTORS           	B6	Fly_tty_7	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=4/14/2022; RAW_FILE_NAME(Raw file name)=Fly_tty_7.mzXML
#COLLECTION
CO:COLLECTION_SUMMARY            	For each biological replicate, a total of 40 fly heads collected from snap
CO:COLLECTION_SUMMARY            	freezing was homogenized in MTBE at 4°C. After the addition of methanol spiked
CO:COLLECTION_SUMMARY            	with SPLASH LIPIDOMIX (330707; Avanti) as the internal standard, the mixture was
CO:COLLECTION_SUMMARY            	mixed briefly and incubated for 5 minutes. At endpoint, the upper organic phase
CO:COLLECTION_SUMMARY            	was transferred into a collection tube and dried.
CO:SAMPLE_TYPE                   	Insect tissue
#TREATMENT
TR:TREATMENT_SUMMARY             	No treatment was done on the flies.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	For each biological replicate, a total of 40 fly heads collected from snap
SP:SAMPLEPREP_SUMMARY            	freezing was homogenized in MTBE at 4°C. After the addition of methanol spiked
SP:SAMPLEPREP_SUMMARY            	with SPLASH LIPIDOMIX (330707; Avanti) as the internal standard, the mixture was
SP:SAMPLEPREP_SUMMARY            	mixed briefly and incubated for 5 minutes. At endpoint, the upper organic phase
SP:SAMPLEPREP_SUMMARY            	was transferred into a collection tube and dried.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	Reversed phase
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Agilent InfinityLab Poroshell 120 EC-C18 (100 x 3 mm, 2.7 μm)
CH:SOLVENT_A                     	90% H2O:10% MeOH with 34.2 mM acetic acid, 1 mM ammonium acetate, pH 9.4
CH:SOLVENT_B                     	75% IPA:25% methanol with 34.2 mM acetic acid, 1 mM ammonium acetate, pH 9.4
CH:FLOW_GRADIENT                 	0 min, 25% B; 2 min, 25% B; 5.5 min, 65% B; 12.5 min, 100% B; 19.5 min, 100% B;
CH:FLOW_GRADIENT                 	20.0 min, 25% B; 30 min, 25% B.
CH:FLOW_RATE                     	200 μL/min
CH:COLUMN_TEMPERATURE            	55°C
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	Full-scan mass spectrometry analysis was performed using a Thermo Q Exactive
MS:MS_COMMENTS                   	PLUS equipped with a HESI source. The spray voltage was -2.7 kV in negative mode
MS:MS_COMMENTS                   	and 3.5 kV in positive mode. Sheath gas, auxiliary gas, and sweep gas flow rates
MS:MS_COMMENTS                   	were set at 40, 10, and 2 (arbitrary units), respectively. The capillary
MS:MS_COMMENTS                   	temperature was 300°C, and the auxiliary gas heater was set to 360°C. The
MS:MS_COMMENTS                   	S-lens RF level was 45, with an m/z scan range of 100 to 1200 m/z for both
MS:MS_COMMENTS                   	positive and negative ionization modes. Metabolite data was processed using the
MS:MS_COMMENTS                   	MAVEN software package with a mass accuracy window of 5 ppm.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	ion count
MS_METABOLITE_DATA_START
Samples	Fly_tty_5	Fly_tty_6	Fly_tty_7	Fly_w1118_5	Fly_w1118_6	Fly_w1118_7
Factors	Genotype:tty-MI12269 | Sample source:whole head tissue	Genotype:tty-MI12269 | Sample source:whole head tissue	Genotype:tty-MI12269 | Sample source:whole head tissue	Genotype:w-1118 | Sample source:whole head tissue	Genotype:w-1118 | Sample source:whole head tissue	Genotype:w-1118 | Sample source:whole head tissue
PS(36:5)	12043565	12949404	11247300	13448084	14585384	13778604
TG_NH4(45:1|14:0_15:0_16:1)	30331126	37484216	10161096	16952418	27752256	14496720
PC(36:5)	9955645	11833087	6209755.5	10210112	12800381	11964172
PC_Na(34:2)	18746674	19085880	20399930	15598197	14228769	18817596
PS(36:6)	5155250	4036336.75	4124266	4809604.5	5286664.5	5816119.5
TG_NH4(45:2|14:0_15:1_16:1)	35978036	50401348	12686508	10738257	20678982	15504496
PC_Na(34:3)	20662826	24151470	17173610	17821528	17460262	18472530
TG_NH4(45:3|14:1_15:1_16:1)	14609481	23692098	5290387.5	2917652.25	5969213.5	7014904
TG_NH4(45:4|13:1_14:1_18:2)	2967513	5258158	535293.12	424111.38	894402.69	911620.25
PC(O-36:2)	2533912.5	2349635.75	3224749	3163681	2790300.25	3034829.25
TG_Na(44:1|14:0_14:0_16:1)	5948140	6763270.5	8007925.5	6698750.5	6528206.5	5043458.5
PC(35:3)	2042414.62	2107108.75	1377199.88	2311128.25	2399636.75	2850025.25
TG_Na(44:2|14:0_14:1_16:1)	6787449.5	6905700	5940672	5402805	5399376	5139064.5
TG_Na(44:3|14:1_14:1_16:1)	3181091	4011069.25	1996365.12	1199559.38	1854485	2357247.75
TG_NH4(44:1|12:0_16:0_16:1)	265135152	258477440	86261304	241175504	280857376	62484944
PG_NH4(34:1|16:0_18:1)	294410.38	240460.38	176849.92	510129.25	642836.56	447923.03
PE_Na(36:2)	7604774	7683360.5	9170160	8563543	8615688	8052806.5
PC(35:2)	4463801	4500520	3295613.25	5200568	5643761.5	6192178
PE(40:2)	122383.34	144073.44	143747.23	188585.08	178787.06	182828.3
PC(37:2)	193629.5	218191.19	125370.12	300184.5	279738.09	377394.66
TG_Na(46:1|14:0_16:0_16:1)	4166068	5457452.5	6221315.5	7674015.5	5279696.5	5956695.5
TG_Na(46:2|14:0_16:1_16:1)	5460740	6500396	6962060	6362603.5	5299705.5	5873108
TG_Na(46:3|14:1_16:1_16:1)	4207409.5	5051921.5	3355189.75	2506430.25	3322404.25	3947000.25
TG_NH4(46:1|14:0_16:0_16:1)	229579248	224322832	96102912	227398016	258902736	91396544
TG_NH4(46:2|14:0_16:1_16:1)	286399776	283473536	90850496	182167280	227489920	80900632
PC(36:4|18:2_18:2)	68388560	86890168	49874144	72931960	79361856	78259432
TG_NH4(46:3|14:1_16:1_16:1)	119397184	130218904	24210058	53753356	90999832	37066220
TG_NH4(46:4|12:0_16:1_18:3)	12951625	20494504	2233253	3288653.75	6006944	5530308
PS(36:2)	10693893	12805344	9702075	10348327	11812468	11830448
PC(36:2)	39456320	43870488	36223860	55328560	54787420	48318900
PS(36:3)	10995363	14250777	7681822.5	8870087	10302033	10245938
PC(36:3)	68224696	86722104	57594356	68446544	79132808	81641432
PS(36:4)	12014108	14060821	9570747	10831467	12660056	11593365
PC(O-38:6)	140415.12	148888.45	131034.48	114948.84	124097.93	171750.8
HexCer(36:1;3O)	2236076	2141672.75	1835265.62	2193546	2232456.25	2596444.75
PC(33:2)	4141023.25	5428261	2352140	3436178	4805752	5095156.5
PE(36:2|18:0_18:2)	95559816	103358472	97897408	113927672	109768424	99000192
TG_Na(42:1|12:0_14:0_16:1)	7654430	7602368	6002105.5	7919608	7606599.5	4526316
PE(36:3|18:0_18:3)	99009304	118636216	80740008	99525032	113566976	106721064
TG_NH4(42:0|12:0_14:0_16:0)	89677096	64947636	12057889	149483600	158692784	14807160
PE(36:4|18:2_18:2)	90338456	87434824	80357688	106271296	108683616	103413504
TG_NH4(42:1|12:0_14:0_16:1)	270386272	226698064	44110232	226618624	281777888	42845804
PE(36:5|18:2_18:3)	27459122	24763158	20329738	34028200	39006680	35941412
PE_Na(34:2)	12624105	14816309	14862452	11060127	12183932	13165443
TG_NH4(44:2|14:0_14:1_16:1)	225436720	212346224	52093236	132829280	187702288	50992956
PE(36:6|18:3_18:3)	3662402	3100361.25	1965196.62	5878282.5	6046563.5	4395790.5
PE_Na(34:3)	7934889.5	8840377	8192004	7525262.5	7697718	6642887.5
TG_NH4(42:3|12:0_14:1_16:2)	14972279	18814804	2360674.25	4258340	8737863	5945176
PC(32:0|16:0_16:0)	15120225	17139702	12720589	19120678	19819868	15709839
PE(35:1|17:0_18:1)	1709745	1723154	1233093.38	1614504.62	2061288.38	1951775.62
PC(32:1)	66887924	72223968	43294928	65883452	69708360	47832992
PC(32:2|16:1_16:1)	46703952	59792852	31627702	56689452	69973016	42403996
PC(32:3)	1574868.12	2507615	961293.19	1183385	1555175.62	1673643
TG_NH4(41:0|12:0_14:0_15:0)	15045027	17831264	2573245.5	11519699	17182526	6250904.5
TG_NH4(42:2|12:0_14:1_16:1)	115416920	119119624	15811551	59470896	96432344	25140946
PG_NH4(34:2|16:0_18:2)	1353886.12	1735589	957889.31	1616879.5	2058816.5	1425589.62
PE_Na(36:3)	8494013	9675276	9073528	8728089	8489794	8368276
TG_NH4(44:3|12:0_14:1_18:2)	52152628	64502256	8777185	17466562	32675224	15224381
PE_Na(36:4)	10561777	9812603	12260804	12052885	11612045	12268244
TG_NH4(44:4|12:0_14:1_18:3)	4134438.75	5981932	629948.75	702259.31	1492140.38	1149185.88
PC(34:1)	59700908	74185448	45906052	69000616	75662400	59696432
PS(34:2)	3273756.75	4664114.5	2640384.75	2622512.25	3201675	2907438.75
PE_Na(36:5)	5609411.5	5216892	5193364.5	7581537.5	7301130	7347367.5
PC(O-35:2)	12398599	13019677	13471325	14179265	15635041	15498999
PC(34:2)	155787280	190525552	122161216	158651696	196249344	176008000
PS(34:3)	1755717.38	2098247.25	1331627.38	1287084.88	1503635	1508605.38
TG_Na(42:0|14:0_14:0_14:0)	2695673.75	1963354.62	1260462.88	4835649.5	4406540.5	1275051.88
PC(34:3)	67830976	89594368	45027324	66113900	69907400	65106916
TG_NH4(43:0|13:0_14:0_16:0)	4741612	5662189.5	1404452.5	5544405.5	6352286.5	3073891.25
PC(34:4)	3207827.25	4307611.5	1838896.62	2782085.25	3390296.75	3093807
PC_Na(32:1)	10191235	11434612	9262025	10404199	9357336	6305361.5
TG_NH4(43:1|13:0_14:0_16:1)	36808596	39411536	7816200	14837345	26073400	10948380
PC_Na(32:2)	15948128	20384674	12766809	20546114	23742728	16078400
TG_NH4(43:2|14:0_13:1_16:1)	24505418	38742164	7836554	5427342.5	12213976	9482417
TG_NH4(43:3|13:1_14:1_16:1)	7926498	12429604	1486497.38	1169445.75	2818108	2695064.75
PC(O-34:0)	99409.16	90875.71	62842.98	122191.35	91803.9	134430
PC(O-34:1)	176455.38	275455.28	455014.5	639975.44	552161.44	563226
PE(36:1|18:0_18:1)	13255973	16107723	10178692	10983753	13432797	10723651
PC(33:1)	3478781	4094301.25	2747731.25	4066281.25	4556702	4761321.5
PE_Na(36:6)	1085558	903644.06	612370.25	1814582.12	1827032	1448133.38
TG_NH4(53:2|16:0_18:1_19:1)	6320845.5	4967464.5	1030136.81	3067106	6292873.5	2508114
TG_NH4(53:3|17:0_18:1_18:2)	3311001.25	3070446	920988.81	1891869.38	2789436.75	1918019.38
PI_Na(36:1)	102756.03	189715.33	161565.2	191111.77	149246.61	165911.73
TG_Na(52:1|16:0_18:0_18:1)	1866468	2374605	884472.69	1405467.62	1717517.88	1200466.12
TG_Na(52:2|16:0_18:1_18:1)	5410676.5	5115329.5	4608695.5	4238799.5	4710508	4628866
PI_Na(36:4)	2349705	3321142.25	1638640.62	2686837	2849989	2293955.75
PI_NH4(36:2)	842258.81	1270993.38	599967.94	1051949.88	1373158.25	829548.81
TG_Na(52:3|16:0_18:1_18:2)	2643846	2947599	1928843.62	1620889.88	2311272.25	2990714.75
PS_Na(36:6)	1848643.88	1460259.38	1442715.5	1760500.12	1998925.62	2098445.75
PI_NH4(36:3)	3802185.25	6103512.5	2466191.25	3330521.25	4236074	3401125
TG_NH4(52:2|16:0_18:1_18:1)	176844480	137929728	34264948	58369664	125725120	53353228
PI_NH4(36:4)	3810072	5199079.5	2266963.75	4153576.75	4734351.5	3569625.75
TG_NH4(52:3|16:1_18:1_18:1)	88335480	82728728	19388888	29839758	63304756	41325684
PI_NH4(36:5)	1322461.38	1526902.12	797237.56	1303578.5	1723219.38	1195672.25
TG_NH4(52:4|16:1_18:1_18:2)	40955056	43012784	9084698	13046896	29947290	24165246
TG_NH4(52:5|16:1_18:2_18:2)	8378802.5	8588464	1916432.88	1837932.5	4071283.75	6190833.5
PC(42:2)	47505.93	17063.12	10290.05	64796.73	80686.96	24943.38
DG_Na(52:1)	74958.34	71109.05	38669.66	282412.34	220138.8	54685.77
DG_Na(52:2)	287773.53	148871.97	133411.77	399279.5	532603.44	114047.85
TG_NH4(51:1|16:0_17:0_18:1)	12686027	16229376	2731252.75	6223310	9807664	7748048.5
TG_NH4(51:2|16:0_17:1_18:1)	22074128	20223562	4026795.25	9120616	17955394	9688178
PI_Na(36:5)	814795.75	986375.94	484200.34	811444.5	1061872.38	747084.56
TG_NH4(60:2|16:0_18:1_26:1)	421837.91	152729.8	76784.87	188802.95	264266.38	40667.56
TG_NH4(60:3|14:0_18:1_28:2)	885138	249753.73	131672.34	563123.88	675709.75	79982.16
TG_NH4(58:2|16:0_18:1_24:1)	1961080.12	674318.56	292063.66	731165.06	1426206.5	120718.23
TG_NH4(58:3|16:1_18:1_24:1)	1567289.62	554722.94	200233.3	599679.44	1147347.88	131513.7
TG_NH4(57:2|16:0_18:1_23:1)	427823.34	359906.22	62371.7	432652.97	908620.75	66421.3
TG_Na(56:2|18:0_18:1_20:1)	516070.34	269736.72	129595.71	322831.41	410199.91	99974.06
TG_Na(56:3|18:1_18:1_20:1)	220391.7	123573.48	67552.22	139425.3	188450.7	67457.76
TG_NH4(56:1|16:0_22:0_18:1)	982174.81	919030.81	143403.06	474326.03	783612.19	239294
TG_NH4(56:2|18:0_18:1_20:1)	3880557.25	1743738	560986	1659100.62	2496873.25	331880.84
TG_NH4(56:3|18:1_18:1_20:1)	1614729.38	727277.81	189774.2	723759.69	1283269.38	238997.8
TG_NH4(54:5|18:1_18:2_18:2)	2595691.25	3208876	1143925.75	821259.94	1657100.38	3803091.75
TG_NH4(55:3|18:1_18:1_19:1)	469470.12	521700.91	55936.02	483546.59	914791.25	179055.64
TG_Na(54:1|16:0_20:0_18:1)	528243.75	496044	84387.05	491481.09	538982.94	150466.72
TG_Na(54:2|18:0_18:1_18:1)	897016.31	789122.31	190475.94	698590.44	856531.5	443424.97
TG_Na(54:3|18:1_18:1_18:1)	438607.5	431163.12	316326.28	510930.91	612304.19	592766
TG_NH4(54:1|16:0_20:0_18:1)	4347106.5	4090956.75	478520.66	2880781.25	4338518.5	993267.31
TG_NH4(54:2|16:0_18:1_20:1)	8328006.5	6836370	885258.56	4101510	8573107	2471697.25
TG_NH4(54:3|18:0_18:1_18:2)	8782339	7513326	1668069.5	4723804	9954959	5079872.5
TG_NH4(54:4|18:1_18:1_18:2)	8695620	9361253	1922660.38	2847501.75	6861845.5	6919149.5
TG_NH4(56:4|18:0_18:1_20:3)	373670.41	291234.53	68803.97	115029.75	268741.69	112850.51
TG_Na(48:1|14:0_16:0_18:1)	3934035.25	4940820.5	5201604	6875234.5	4743605.5	5155757.5
TG_Na(48:2|16:0_16:1_16:1)	5106375	5081056.5	7057382.5	5641289.5	4956226.5	6189174
TG_NH4(48:1|14:0_16:0_18:1)	203769168	230736256	62738160	175151728	190368576	92622056
TG_NH4(48:2|14:0_16:1_18:1)	279288224	262384464	113406680	184505088	235530432	104304832
TG_NH4(48:3|14:1_16:1_18:1)	180029504	169509088	44201516	89936256	158046304	56069748
TG_NH4(48:4|14:1_16:1_18:2)	33634068	42665052	5234531.5	10986183	24306798	13742847
PC(38:2)	420718.16	468343.59	465912.97	835078.25	875480.44	804399.56
PC(38:3)	270991.19	300031.12	200109.33	279663.66	322416.88	300390.59
TG_NH4(51:3|16:1_17:1_18:1)	9277588	9369865	2271067.25	3617193.25	7037356.5	5350991.5
PS_Na(36:2)	3457198	3965638.25	3598401.75	3213975	3487322.75	3900591.25
TG_NH4(47:1|14:0_15:0_18:1)	29114344	33840508	10746365	16101020	22794958	19260300
PC_Na(36:2)	3705834.25	3997002	5040632.5	5203914.5	5247390.5	4973442
PS_Na(36:3)	3943604.25	4766692.5	2887529.25	3173495.25	3657666.75	3664481.25
TG_NH4(47:2|14:0_15:1_18:1)	41279100	51310560	11309891	16580199	28174130	18028876
PC_Na(36:3)	5872674	5896358.5	6974342	5511847.5	4867962.5	5335584.5
PS_Na(36:4)	4336112	5346345	3901865	4007752	4758725.5	4313496.5
TG_NH4(47:3|13:0_16:1_18:2)	13735517	21151618	5457603.5	4345149.5	7371866.5	8869856
PC_Na(36:4)	16237388	15524948	14608004	14366901	16080356	15906859
PS_Na(36:5)	4537026.5	4821042.5	4401144.5	5163868	5603097.5	5268622
TG_NH4(47:4|13:1_16:1_18:2)	5003864.5	8344350.5	1217947.12	1106190.75	2310762.25	2294917.25
PC_Na(36:5)	3692310	4168578.25	2658321.75	3859405.25	4231909.5	4644580
TG_NH4(51:4|15:1_18:1_18:2)	2241496.25	2480580.75	1190833.38	1180617.38	1960452.5	1919694.88
TG_Na(50:1|16:0_16:0_18:1)	3660875	4391286.5	3892130.25	4701029.5	4307013.5	4252369
PI_NH4(34:1)	338550	463816.5	230449.7	586240.44	630083.5	348309.31
TG_Na(50:2|16:0_16:1_18:1)	4739679.5	4679943.5	6392366.5	5015593.5	4879424.5	5140738.5
PI_NH4(34:2)	2239066.25	3690118.75	1259926.62	2214728	3277491.25	1833795.62
TG_Na(50:3|16:1_16:1_18:1)	3242002.75	3555608.25	4033970.75	2755602.25	3173210	4278863.5
TG_NH4(50:1|16:0_16:0_18:1)	125939240	134530288	30787294	67929816	106127640	50408560
PI_NH4(34:3)	1071524.75	1535322	579315.5	831226.94	1063143.25	742114.19
TG_Na(50:4|16:1_16:1_18:2)	1704966.12	1914033.38	1170045	1082566.38	1438120.62	2044797.62
TG_NH4(50:2|16:0_16:1_18:1)	263124144	254866048	86482752	138742592	219627328	93170144
TG_NH4(50:3|16:1_16:1_18:1)	168894464	148989168	46261168	68483672	122609016	66681536
TG_NH4(50:5|16:1_16:1_18:3)	6787941.5	7058460	1302393.88	1384393.88	3346568.75	3031112.25
PC(40:2)	42028.05	23447.23	52492.34	109497.75	104921.19	69399.34
DG_Na(50:1)	87501.1	86635.99	62055.15	346278.94	229855.33	58852.36
TG_NH4(49:1|15:0_16:0_18:1)	23014350	27182800	6285500	11796371	18510086	14178203
PC_Na(38:2)	40402.93	63918.17	98337.54	91922.44	107618.01	128800.78
TG_NH4(49:2|15:0_16:1_18:1)	33756820	37089400	8849873	15077019	27633798	14983043
TG_NH4(48:3;1O|16:1_18:2_14:0;1O)	817538.69	502917	76467.76	1065170.62	1599853.62	124717.84
DG_NH4(50:3|18:1_32:2)	212996.31	84925.3	157042.98	346606.62	349424.53	92523.84
TG_NH4(49:3|15:1_16:1_18:1)	13582933	15215940	3861046.75	4230259.5	8754308	7812789.5
TG_NH4(49:4|15:1_16:1_18:2)	4010796	5744614.5	1288875.88	1206113.25	2384115.75	2360358.5
TG_NH4(50:4|16:1_16:1_18:2)	70309688	67577256	11092291	21772432	47966592	24244032
LPC_Na(17:1)	1448667.5	1440258.62	1132251.38	1666533.5	1471368	1872614.62
LPC(18:1(d7))	4335119.5	5061321	3627333.25	4702491.5	4698444.5	4050090.25
DG_NH4(28:1|14:0_14:1)	28888592	22268456	6217622.5	16449332	17343028	9380343
DG_NH4(28:2|14:1_14:1)	7913868.5	5603510.5	1320709.38	2073541.62	2565995.75	3846278.25
LPC(18:0/0:0)	17359486	15433097	17979118	19489830	18194622	21135944
LPC(18:1/0:0)	86468816	88716224	86197032	95076312	104341160	106835928
LPC(18:2/0:0)	185776192	186428880	138396896	172973104	167396496	193017392
LPC(18:3/0:0)	15689491	13129848	10987303	15165168	15642299	18573398
LPC_Na(16:0)	57933632	66104096	52530516	63923444	65846476	67409032
LPC_Na(16:1)	52090644	57696524	45051136	54656160	54944880	50604172
PC_Na(30:1)	2946435.75	4321852.5	1808000.88	3745311.25	4187262	2273850.25
LPC(O-18:0)	1812095.38	1450312	2555476.25	2155598.75	1508840.62	2431879.75
LPE(20:0)	1048551.69	984691	1106200.5	1593362.88	1383141.62	1645242.12
LPC(17:0/0:0)	2065303.5	2136095	2018860	2471179.25	2204159.5	3154280.75
LPC(O-18:1)	53387.14	42522.27	80934.93	69123.63	39199.05	74361.2
LPE(20:1)	1084389.88	1278512.62	984566.75	1150466.12	1100605.12	1128404.38
LPC(17:1/0:0)	2620033.25	2527548.75	2271938.25	3046071.25	3202736.75	3873768
DG_Na(26:0)	19189442	9928245	4899399.5	15195843	15146895	5529558.5
DG_Na(26:1)	25852568	13981325	4235747.5	11198201	11701461	9467453
LPC_Na(15:0)	3349419.25	4064958.75	2409327.25	3019404.75	3570970.75	3584309.25
DG_NH4(26:0|12:0_14:0)	34978304	19700938	4566883.5	30212336	32095198	7826411.5
CAR(24:0)	1597673	1613068.38	1141574.12	2570586.25	3012356	3411314
DG_Na(30:1)	26323142	21499582	12682563	16151261	14709701	9814311
DG_NH4(30:0|14:0_16:0)	7507804.5	6442975.5	2360311	4120999	5399170	2840642
DG_NH4(30:1|14:0_16:1)	74472056	70428064	21576242	40762336	43991408	21290480
DG_NH4(30:2|14:1_16:1)	11642891	11319915	3368934.25	5264635.5	6377852	4950766
DG_Na(30:5)	2532471	35885.1	182701.33	38239.43	14297.12	24214.74
LPC(20:1/0:0)	146490.23	195848.67	168746.61	212077.88	177630.31	198328.05
LPC(20:2/0:0)	194597.3	221840.73	194478.8	171627.97	171417.59	216751.36
LPC_Na(18:0)	12106459	10782505	10449601	14449024	13552784	13066648
DG_NH4(28:0|14:0_14:0)	37843948	26116618	6439484.5	19149598	24787998	9768308
DG_NH4(29:1|13:0_16:1)	3150260	3432498.75	607575.31	733119	1223248.62	1569068.12
LPC_Na(18:2)	82933424	88824504	69668248	76499272	77153488	88614936
LPC_Na(18:3)	7453500.5	7363146	5805848.5	7320801.5	7494165.5	9728255
Cer(34:1;2O|14:1;2O/20:0)	4354935	4931534	3910645.25	3085386	3941707	4877271.5
LPE(22:1)	62529.7	74933.2	40002.88	39612.19	42723.94	49505.16
DG_Na(28:0)	14776989	8674197	4272370.5	7908001.5	8913697	4429203.5
DG_Na(28:1)	7836440.5	5257770.5	3012937.25	4319412.5	3247051.25	2531552.75
LPC_Na(17:0)	1369269	1453203.62	1404584	1309241.88	1281497.12	1725915.38
LPC_Na(18:1)	52800276	55390076	50886940	55578320	60201908	61695216
CAR(18:2)	18970254	19486934	5099716	14477893	19311946	4753456
CAR(18:3)	1412904.38	989562.94	172815.11	1366277.88	2006677.38	207124.33
CAR(16:0)	21724402	23431306	5373385.5	19164150	30046560	5175378.5
CAR(16:1)	8155520.5	8573920	2422155.75	10014213	8452821	1940347.5
ST_H-H2O(29:1;O)	11649836	6883346	5065422.5	7632360.5	10258561	5969828
ST_H-H2O(29:2;O)	4419609.5	2909402	1397176.5	1265517.62	1641236.5	1050461.62
ST(28:4;O)	643565.06	818421.81	1218644.5	826425.31	1151447.25	1747262.38
ST_H-H2O(28:1;O)	7094320.5	4377531.5	2129513.25	3879768	6371464	3616892.75
ST_H-H2O(28:2;O)	19314096	13634483	8599693	14718200	21053638	14683752
ST_H-H2O(28:3;O)	44280196	32698122	13717317	32905594	46890896	28649974
MG_NH4(18:0)	835841.44	977790.81	870965.81	911141.06	807182.06	1095704.12
DG_NH4(26:1|12:0_14:1)	20033506	10170243	2281195.75	7485904	9200802	5214314
MG_NH4(18:1)	10030450	9783006	7969442.5	6691530	6385479.5	11746033
MG_NH4(18:2)	10158527	9130168	11317184	8572957	7695505.5	15046639
CAR(14:0)	2648759	3202826	767901.75	5504596	5446922.5	621696.56
MG_NH4(18:3)	1858971.12	1330320.88	1849969.5	1276423.62	1108099	2302029.75
ST_H-H2O(27:1;O)	74640656	72938032	33431102	56008340	65723508	62748820
ST_H-H2O(27:2;O)	23797526	13398117	12848089	18096878	22949322	18508398
MG_NH4(16:0)	4031074.25	4372920.5	2720051.25	2974107.25	2746910.75	4246090
MG_NH4(16:1)	9454155	8417593	7093272.5	7016309.5	6631910.5	7777142.5
NAE(18:3)	25494.61	35922.24	9291.77	15463.35	37671.41	38393.39
MG_NH4(14:0)	4346353.5	3160093	1696228.12	2741470.25	2914951.75	2849075.25
NAE(17:1)	11503373	7627101.5	7343622.5	3641272.25	4232480.5	10017729
NAE(17:2)	13620633	7198433.5	7889100.5	4138217.75	4862516	10528996
NAE(22:4)	427726.47	517240.09	391453.03	393382.34	432367.47	336131.62
LPC(16:0/0:0)	98039768	121588152	94126784	119750656	126263704	125692264
LPE(19:1)	254796.14	278019.75	318351.78	346151.41	330629.28	425274.62
LPC(16:1/0:0)	93558920	97661184	76330056	102992488	105545912	89670568
LPC_Na(14:0)	6433286.5	7745026.5	4305655.5	5788066	6554048.5	5340449
CAR(22:0)	3192243.25	4227679.5	1293903	1100591.62	1831240.38	2358016.75
LPE(18:0)	75472000	75339712	69578344	79719576	77865160	83848904
LPC(15:0/0:0)	5208949.5	6231444.5	4239328	5095767	5639293.5	5353493.5
LPE(18:1)	205305344	207457920	163222384	183315904	192177840	212619600
DG_Na(24:0)	25975824	13306979	2690967	16623739	19213522	5843330.5
LPE(18:2)	290262208	285331360	263508800	297473088	290068512	303783424
DG_Na(24:1)	1502397.62	899340	282608.28	828897.5	1036344	592697.75
LPE(14:0)	11982149	15022543	9406785	8809602	8971096	11448691
DG_NH4(24:0|12:0_12:0)	15289400	6627691.5	1109156.62	8149238.5	11207264	2477424.25
LPC(14:0/0:0)	16945020	18166112	11686952	14671880	14398227	12307712
LPE(17:1)	3211710	3226805.25	2182057.75	3486094.75	3872327.25	4684336.5
LPC(14:1/0:0)	653190.75	907288.31	662243.5	560216.62	603888.94	1025248.69
CAR(20:0)	1702793.62	2155334.5	1001471.81	719724.5	1084083.5	1582337.38
LPE(16:0)	156114064	187859520	107003288	131203656	148743120	141815088
LPE(16:1)	105885728	105619240	82403552	95311480	108248736	92692072
LPC(12:0/0:0)	442911.75	432498.66	406271.38	545104.06	521261.88	595359.56
LPE(15:0)	1577663.38	2465966	1069829.62	1384372.62	1495307.12	1892373.38
LPE(O-16:2)	1558802.62	1798909.12	1036906.69	1073617.5	1321408.12	1248430.75
CAR(18:0)	3487377.75	4015878.75	1808265	2251791	3320539.25	2375904.75
CAR(18:1)	27654718	32435896	11595336	22189034	28123314	9990771
LPE(18:3)	76191128	64566624	58295052	75027208	66903724	80919456
PE(33:2|16:1_17:1)	2268821.75	2910614	1239452.5	1851933.88	2214309.75	2508310
TG_Na(39:1|12:0_13:0_14:1)	1910070.62	2642302.25	703738.69	685314.44	1208045.88	1295814.88
HexCer(34:1;2O|18:1;2O/16:0)	2378194	2268163.75	2868724	4705836.5	4750410.5	4691677.5
PE(O-34:3)	3425815.75	3183814.75	3247775.75	2786111	3218557.75	3352644.75
TG_NH4(39:0|12:0_13:0_14:0)	16182541	19920348	2006805.38	11553565	17031288	4776963.5
HexCer_H-H2O(34:1;3O)	2726733.5	3275230.25	2187596	2451045	2822790.75	3125156.25
TG_NH4(39:1|12:0_13:0_14:1)	19421702	21920278	2664059.75	5768014.5	12335901	6594037.5
CE_NH4(20:2)	2218081.25	1584149	971982.44	670402.19	906653.81	848617.75
TG_NH4(39:2|12:0_13:1_14:1)	6514948	9775569	1037773.94	1168668.25	2826055	2540960.75
CE_NH4(20:3)	310857.84	302914.09	179143.27	122411.4	136603.8	175784.69
Cer(36:1;2O|14:1;2O/22:0)	8223142.5	8981570	7560578	5610572	6940224	9024127
PE(32:1|16:0_16:1)	70416736	85101376	33592304	44611820	64757468	41591096
TG_Na(38:0|12:0_12:0_14:0)	7970158	5429229.5	1956111.62	14323653	13062265	3134766
HexCer(32:1;3O)	1879279.38	1882132	1389082.5	1029437.56	1606843.12	1566712.62
PE(32:2|14:0_18:2)	25706806	32629808	20713796	24609618	29292352	25003378
TG_Na(38:1|12:0_12:0_14:1)	6983200	5345044	1096216.38	7018538	8209671.5	2551164
PE(32:3|14:0_18:3)	1388402	1988452.62	797196.25	888305.75	1025714.56	1259447
TG_NH4(38:0|12:0_12:0_14:0)	112775096	65037632	9261310	210394832	220920464	18324698
PE_Na(30:1)	2426830.25	3365992.75	2188363	2107373.25	2352198	2386061.25
TG_NH4(38:1|12:0_12:0_14:1)	45015904	29566086	4412232.5	47218784	63769892	10422569
TG_NH4(38:2|12:0_13:1_13:1)	5210987.5	6021136.5	721193	2539571.5	4220002.5	1767547.88
PC(28:0)	1130464.62	1586469	652963.69	1306109.38	1501247.5	779215.81
CE_NH4(18:1(d7))	25649734	26886918	13037607	19508112	23148928	22746582
TG_NH4(41:1|13:0_14:0_14:1)	28297968	39279540	4793198	11762877	22846218	9894634
TG_NH4(41:2|14:0_13:1_14:1)	16284595	25865024	2729341.25	3198421.25	6361139.5	6381626.5
TG_NH4(41:3|13:1_14:1_14:1)	3776564	6901996	677604.56	674923.94	1424413.38	1648913
PE(34:1|16:0_18:1)	94654976	131400256	65424268	80071272	94229888	78222408
TG_Na(40:0|12:0_14:0_14:0)	6061989.5	4621689	2586144	10002721	9547547	2602181.25
HexCer(34:1;3O)	15781643	18055806	12947355	15567603	16309661	16807590
PC(30:2)	816968.69	1278330	747164.19	821788.81	1042310.75	1190397.38
TG_Na(40:1|12:0_14:0_14:1)	8966797	7874188	3199282.25	8386904	9050649	3655781.25
PE(34:3|16:1_18:2)	57814384	66962452	44221800	53065920	60127244	54096820
TG_Na(40:2|12:0_14:1_14:1)	5206914	5473652	1432316.12	3281658.75	4392688.5	2525609.25
TG_NH4(40:0|12:0_14:0_14:0)	172110288	123929112	16506651	257487104	296017024	21765498
PE(34:4|16:1_18:3)	4378752.5	4943495.5	2862462.25	3270516.75	3967347.75	3813939.75
PE_Na(32:1)	7274404	8988819	4961781.5	4641966.5	5911463.5	4867320.5
TG_NH4(40:1|12:0_14:0_14:1)	167414160	118442136	15506360	141016784	202048272	25183642
PE_Na(32:2)	5178519.5	6378117.5	5105156	5208387.5	6018882.5	4866935.5
TG_NH4(40:2|12:0_14:1_14:1)	34171776	42780580	4576114.5	20268418	35276540	11215203
TG_NH4(40:3|13:1_13:1_14:1)	3150896.25	4947388.5	623602.44	820586.69	1686101.62	1298427.12
PC(30:0)	6623752	7866726	4658309.5	5640469.5	6158926.5	4350225.5
PC(30:1)	11086279	14878032	6038716.5	12702280	14738656	7278522.5
PE(34:2|16:0_18:2)	145967568	193210544	117531968	136838384	155572336	151397632
Cer(40:1;2O|18:1;2O/22:0)	55466.88	72588.16	28454.02	58139.99	76227.4	43079.56
DG_Na(34:0)	565266.94	497707.34	527907.81	403033.5	414749.59	354759.22
DG_Na(34:1)	25438944	25430954	13310345	16408368	19519308	18909474
DG_Na(34:2)	21884406	20058406	11984751	11730708	16216429	15469239
DG_NH4(34:0|16:0_18:0)	1260684.38	1279019.12	979948.31	910268.31	1014265.5	1886136.12
DG_Na(34:3)	12470256	10477045	7578756.5	5392320.5	6636920	7877333.5
DG_NH4(34:1|16:0_18:1)	82294136	83787176	23843354	38403892	55234260	51552100
DG_NH4(34:2|16:1_18:1)	69970744	68822168	23586170	27730392	46136492	37850032
DG_NH4(34:3|16:1_18:2)	32642942	28452256	15707259	17167330	22148752	22675158
DG_NH4(15:0_18:1(d7))	2534208.75	2640782	2124200.25	2290626	2370059.25	3152613
DG_Na(33:1)	2319392.75	1896283	1059084.5	938158.06	1358838.25	1846030.62
DG_NH4(33:1|17:0_16:1)	6927940.5	6361752	2134086.25	2068534.62	3726009.25	4278100
DG_NH4(33:2|15:0_18:2)	2742900.25	3205689	865012	834791	1458138	1783432.62
DG_Na(32:0)	1562448.38	1505914.12	1074913.75	1048171	1165103	1153022.12
DG_Na(32:1)	27190902	24204398	10503165	13474440	14938924	11982676
DG_Na(32:2)	16176025	11887051	6974567.5	6621911.5	8216432.5	6371960.5
DG_NH4(32:0|16:0_16:0)	4471645	3784140.75	1748945.12	932396.5	3104168.25	2903252
DG_NH4(32:1|16:0_16:1)	119481792	101981568	33140048	48589596	64432788	43120500
DG_NH4(32:2|16:1_16:1)	62129040	49588256	19475742	27665602	37160292	22743510
DG_NH4(32:3|14:1_18:2)	3648966.75	4252360.5	838941.81	1217501.88	1777960.12	2306267.25
LPC_Na(20:1)	116601.94	132425.52	116700.96	129085.34	158208.84	149863.52
DG_NH4(31:1|15:0_16:1)	6662602.5	5764042	1834823.5	1945054	3391542	3441535.25
LPC_Na(20:2)	138952.62	129325.13	103904.77	132423.2	124126.88	125571.65
Cer(38:1;2O|14:1;2O/24:0)	1967235	1923294.5	1647191.12	1878118	2211993.25	2710726.75
DG_Na(38:2)	125535.4	114696.19	82637.06	95268.69	129015.06	125829.7
TG_NH4(37:0|11:0_12:0_14:0)	5739604.5	5692911.5	600731.75	4585212	6766628	1511272.38
TG_NH4(37:1|12:0_12:0_13:1)	6483571.5	6820366.5	710943.94	1444273.38	2936236.25	2073858.12
CE_NH4(18:2)	5105304.5	2852482	2828780	3933687.25	4455856	3700139
PE(30:1|14:0_16:1)	10060169	13076171	7213367.5	8378424	9999843	8709479
TG_Na(36:0|12:0_12:0_12:0)	5279563.5	2714876	619217.81	9008367	8706471	1893015.62
TG_NH4(36:0|12:0_12:0_12:0)	24258266	13205064	2066414.38	53592432	49585780	7350854.5
DG_Na(36:1)	1142959.62	1258116.62	539361.44	989418	935595.94	1301587.62
DG_Na(36:2)	7524670.5	6454806	5645166.5	4799257.5	5806433.5	7081748
DG_Na(36:3)	13382489	13209395	12484264	9791080	10145100	13613880
DG_NH4(36:1|18:0_18:1)	2867184.75	3003665	863277.5	1891463.62	2026851.5	2834282
DG_Na(36:4)	10811609	8801479	8404897	8518550	8635040	12782677
DG_NH4(36:2|18:1_18:1)	23834782	20171270	10230765	11007515	15170267	15561619
DG_NH4(36:3|18:1_18:2)	29727184	29306694	17413266	16191667	18885820	25066672
DG_NH4(36:4|18:2_18:2)	30096774	25843344	21386014	24404502	25994042	34336084
DG_NH4(36:5|18:2_18:3)	6100276	4936840.5	4278923.5	4873179.5	4475659	6387682.5
LPE(O-18:3)	1080868.62	990910.19	1115454	992630.19	940118.5	1172688.62
LPE(17:0)	2844164	2939620	1682777	2918357.25	2890031	2969525.25
PC(31:0)	1368232.12	1447696.62	1074694.5	1223362.25	1385459.38	1485903.38
PC_Na(32:0)	2154350	2427340.25	1919397.38	2210038.25	2191791.25	2168438.75
TG_NH4(44:0|14:0_14:0_16:0)	27783936	21155536	6327574.5	44687324	45396416	6102164
PC(36:1)	6423162	6815128	7815796	11687771	11373356	9822676
15:0-18:1(d7) PG	281088.31	363536.22	162857.92	266150.53	333186.66	212702.12
18:1(d7) MAG	242290.61	237836.52	297273.78	255250.94	207269.52	328462.28
DAG(33_1) (d7)	2534208.75	2640782	2124200.25	2290626	2370059.25	3152613
PC(18_1) (d7) Lyso	5233916.5	6230136.5	4302972	5580804.5	5699846.5	4745390.5
PC(33_1) (d7)	7203958.5	9610217	5734186.5	7976092	7578500	6379470
PE(18_1) (d7) Lyso	314233.72	366219.25	311453.38	350893.88	343382.62	262903.03
PE(33_1) (d7)	145623.14	190940.42	135473.02	151408.08	119936.15	106140.05
TAG(48_1) (d7)	3913346	3853226.25	6327866.5	6373777.5	4613648.5	9683372
d18:1-18:1(d9) SM	4527050	5151464	4132160	4857538	4487062.5	3861636.25
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	medMz	medRt
PS(36:5)	782.495667	11.99
TG_NH4(45:1|14:0_15:0_16:1)	780.706421	15.897
PC(36:5)	780.552368	12.972
PC_Na(34:2)	780.549988	13.405
PS(36:6)	780.480164	11.671
TG_NH4(45:2|14:0_15:1_16:1)	778.690796	15.695
PC_Na(34:3)	778.534241	13.074
TG_NH4(45:3|14:1_15:1_16:1)	776.674805	15.537
TG_NH4(45:4|13:1_14:1_18:2)	774.658813	15.352
PC(O-36:2)	772.619202	14.106
TG_Na(44:1|14:0_14:0_16:1)	771.646179	15.751
PC(35:3)	770.565674	13.271
TG_Na(44:2|14:0_14:1_16:1)	769.630249	15.6
TG_Na(44:3|14:1_14:1_16:1)	767.614563	15.41
TG_NH4(44:1|12:0_16:0_16:1)	766.690674	15.748
PG_NH4(34:1|16:0_18:1)	766.555969	12.792
PE_Na(36:2)	766.534424	13.852
PC(35:2)	772.584412	13.611
PE(40:2)	800.614929	14.51
PC(37:2)	800.614929	13.948
TG_Na(46:1|14:0_16:0_16:1)	799.677429	16.02
TG_Na(46:2|14:0_16:1_16:1)	797.661438	15.859
TG_Na(46:3|14:1_16:1_16:1)	795.645813	15.639
TG_NH4(46:1|14:0_16:0_16:1)	794.722107	16.018
TG_NH4(46:2|14:0_16:1_16:1)	792.706421	15.832
PC(36:4|18:2_18:2)	782.56781	13.238
TG_NH4(46:3|14:1_16:1_16:1)	790.690674	15.652
TG_NH4(46:4|12:0_16:1_18:3)	788.675842	15.448
PS(36:2)	788.542358	12.965
PC(36:2)	786.599304	13.854
PS(36:3)	786.527588	12.633
PC(36:3)	784.583435	13.52
PS(36:4)	784.51123	12.298
PC(O-38:6)	792.594482	13.592
HexCer(36:1;3O)	744.596619	13.536
PC(33:2)	744.552429	13.193
PE(36:2|18:0_18:2)	744.552063	13.874
TG_Na(42:1|12:0_14:0_16:1)	743.616028	15.485
PE(36:3|18:0_18:3)	742.537048	13.644
TG_NH4(42:0|12:0_14:0_16:0)	740.67511	15.712
PE(36:4|18:2_18:2)	740.521362	13.317
TG_NH4(42:1|12:0_14:0_16:1)	738.659546	15.517
PE(36:5|18:2_18:3)	738.505249	13.013
PE_Na(34:2)	738.50354	13.48
TG_NH4(44:2|14:0_14:1_16:1)	764.675049	15.583
PE(36:6|18:3_18:3)	736.490051	12.711
PE_Na(34:3)	736.487793	13.204
TG_NH4(42:3|12:0_14:1_16:2)	734.629639	15.196
PC(32:0|16:0_16:0)	734.568604	13.62
PE(35:1|17:0_18:1)	732.551086	13.925
PC(32:1)	732.551331	13.276
PC(32:2|16:1_16:1)	730.534729	12.916
PC(32:3)	728.519409	12.667
TG_NH4(41:0|12:0_14:0_15:0)	726.659912	15.581
TG_NH4(42:2|12:0_14:1_16:1)	736.643311	15.323
PG_NH4(34:2|16:0_18:2)	764.542786	12.421
PE_Na(36:3)	764.519165	13.599
TG_NH4(44:3|12:0_14:1_18:2)	762.660034	15.387
PE_Na(36:4)	762.502747	13.275
TG_NH4(44:4|12:0_14:1_18:3)	760.644775	15.28
PC(34:1)	760.583679	13.725
PS(34:2)	760.513	12.469
PE_Na(36:5)	760.487183	12.993
PC(O-35:2)	758.604553	14.473
PC(34:2)	758.567993	13.405
PS(34:3)	758.496704	12.167
TG_Na(42:0|14:0_14:0_14:0)	745.630737	15.696
PC(34:3)	756.550049	12.994
TG_NH4(43:0|13:0_14:0_16:0)	754.691223	15.834
PC(34:4)	754.5354	12.79
PC_Na(32:1)	754.534424	13.274
TG_NH4(43:1|13:0_14:0_16:1)	752.675049	15.665
PC_Na(32:2)	752.518188	12.915
TG_NH4(43:2|14:0_13:1_16:1)	750.659241	15.472
TG_NH4(43:3|13:1_14:1_16:1)	748.644226	15.376
PC(O-34:0)	748.619934	14.317
PC(O-34:1)	746.603516	14.027
PE(36:1|18:0_18:1)	746.567139	14.127
PC(33:1)	746.566101	13.463
PE_Na(36:6)	758.471741	12.702
TG_NH4(53:2|16:0_18:1_19:1)	890.81604	16.855
TG_NH4(53:3|17:0_18:1_18:2)	888.799988	16.613
PI_Na(36:1)	887.55658	13.18
TG_Na(52:1|16:0_18:0_18:1)	883.770142	16.965
TG_Na(52:2|16:0_18:1_18:1)	881.75531	16.714
PI_Na(36:4)	881.513794	12.191
PI_NH4(36:2)	880.591614	12.817
TG_Na(52:3|16:0_18:1_18:2)	879.739441	16.477
PS_Na(36:6)	802.462036	11.681
PI_NH4(36:3)	878.573792	12.492
TG_NH4(52:2|16:0_18:1_18:1)	876.800232	16.694
PI_NH4(36:4)	876.558472	12.202
TG_NH4(52:3|16:1_18:1_18:1)	874.784424	16.461
PI_NH4(36:5)	874.543152	11.873
TG_NH4(52:4|16:1_18:1_18:2)	872.768616	16.215
TG_NH4(52:5|16:1_18:2_18:2)	870.753235	16.004
PC(42:2)	870.695007	14.938
DG_Na(52:1)	869.79248	17.588
DG_Na(52:2)	867.776428	17.26
TG_NH4(51:1|16:0_17:0_18:1)	864.800537	16.792
TG_NH4(51:2|16:0_17:1_18:1)	862.784424	16.52
PI_Na(36:5)	879.498596	11.873
TG_NH4(60:2|16:0_18:1_26:1)	988.926331	18.279
TG_NH4(60:3|14:0_18:1_28:2)	986.910095	17.863
TG_NH4(58:2|16:0_18:1_24:1)	960.894836	17.822
TG_NH4(58:3|16:1_18:1_24:1)	958.878479	17.415
TG_NH4(57:2|16:0_18:1_23:1)	946.878784	17.647
TG_Na(56:2|18:0_18:1_20:1)	937.818542	17.411
TG_Na(56:3|18:1_18:1_20:1)	935.801453	17.06
TG_NH4(56:1|16:0_22:0_18:1)	934.879028	17.772
TG_NH4(56:2|18:0_18:1_20:1)	932.863403	17.395
TG_NH4(56:3|18:1_18:1_20:1)	930.847107	17.104
TG_NH4(54:5|18:1_18:2_18:2)	898.779541	16.189
TG_NH4(55:3|18:1_18:1_19:1)	916.832153	16.958
TG_Na(54:1|16:0_20:0_18:1)	911.802856	17.384
TG_Na(54:2|18:0_18:1_18:1)	909.786865	17.04
TG_Na(54:3|18:1_18:1_18:1)	907.77124	16.797
TG_NH4(54:1|16:0_20:0_18:1)	906.847351	17.353
TG_NH4(54:2|16:0_18:1_20:1)	904.831543	17.05
TG_NH4(54:3|18:0_18:1_18:2)	902.815735	16.749
TG_NH4(54:4|18:1_18:1_18:2)	900.799927	16.499
TG_NH4(56:4|18:0_18:1_20:3)	928.831665	16.832
TG_Na(48:1|14:0_16:0_18:1)	827.708679	16.3
TG_Na(48:2|16:0_16:1_16:1)	825.692505	16.117
TG_NH4(48:1|14:0_16:0_18:1)	822.753296	16.31
TG_NH4(48:2|14:0_16:1_18:1)	820.737671	16.096
TG_NH4(48:3|14:1_16:1_18:1)	818.721924	15.91
TG_NH4(48:4|14:1_16:1_18:2)	816.706909	15.683
PC(38:2)	814.633545	14.234
PC(38:3)	812.611877	13.916
TG_NH4(51:3|16:1_17:1_18:1)	860.768494	16.284
PS_Na(36:2)	810.523865	12.928
TG_NH4(47:1|14:0_15:0_18:1)	808.738037	16.181
PC_Na(36:2)	808.581421	13.842
PS_Na(36:3)	808.509888	12.68
TG_NH4(47:2|14:0_15:1_18:1)	806.721924	15.952
PC_Na(36:3)	806.565979	13.497
PS_Na(36:4)	806.493164	12.29
TG_NH4(47:3|13:0_16:1_18:2)	804.706299	15.755
PC_Na(36:4)	804.54895	13.19
PS_Na(36:5)	804.477539	11.99
TG_NH4(47:4|13:1_16:1_18:2)	802.691162	15.599
PC_Na(36:5)	802.53418	12.953
TG_NH4(51:4|15:1_18:1_18:2)	858.753235	16.151
TG_Na(50:1|16:0_16:0_18:1)	855.739929	16.621
PI_NH4(34:1)	854.573364	12.715
TG_Na(50:2|16:0_16:1_18:1)	853.723877	16.42
PI_NH4(34:2)	852.558716	12.373
TG_Na(50:3|16:1_16:1_18:1)	851.708191	16.197
TG_NH4(50:1|16:0_16:0_18:1)	850.784668	16.63
PI_NH4(34:3)	850.54303	12.096
TG_Na(50:4|16:1_16:1_18:2)	849.692444	15.914
TG_NH4(50:2|16:0_16:1_18:1)	848.76886	16.389
TG_NH4(50:3|16:1_16:1_18:1)	846.753113	16.172
TG_NH4(50:5|16:1_16:1_18:3)	842.721008	15.757
PC(40:2)	842.661499	14.6
DG_Na(50:1)	841.760803	17.208
TG_NH4(49:1|15:0_16:0_18:1)	836.769226	16.477
PC_Na(38:2)	836.610962	14.295
TG_NH4(49:2|15:0_16:1_18:1)	834.753174	16.238
TG_NH4(48:3;1O|16:1_18:2_14:0;1O)	834.71991	15.058
DG_NH4(50:3|18:1_32:2)	832.774414	16.607
TG_NH4(49:3|15:1_16:1_18:1)	832.737366	16.024
TG_NH4(49:4|15:1_16:1_18:2)	830.722534	15.882
TG_NH4(50:4|16:1_16:1_18:2)	844.737549	15.956
LPC_Na(17:1)	530.320557	9.275
LPC(18:1(d7))	529.397888	9.64
DG_NH4(28:1|14:0_14:1)	528.461609	13.36
DG_NH4(28:2|14:1_14:1)	526.445984	13.094
LPC(18:0/0:0)	524.370789	10.326
LPC(18:1/0:0)	522.355408	9.667
LPC(18:2/0:0)	520.339111	9.084
LPC(18:3/0:0)	518.322205	8.682
LPC_Na(16:0)	518.32135	9.446
LPC_Na(16:1)	516.30481	8.867
PC_Na(30:1)	726.502563	12.732
LPC(O-18:0)	510.391235	10.838
LPE(20:0)	510.354279	11.282
LPC(17:0/0:0)	510.356232	9.769
LPC(O-18:1)	508.374969	10.095
LPE(20:1)	508.339478	10.61
LPC(17:1/0:0)	508.336853	9.183
DG_Na(26:0)	507.401489	13.234
DG_Na(26:1)	505.385895	12.881
LPC_Na(15:0)	504.303772	8.934
DG_NH4(26:0|12:0_14:0)	502.445923	13.238
CAR(24:0)	512.466797	12.329
DG_Na(30:1)	561.448425	13.819
DG_NH4(30:0|14:0_16:0)	558.508606	14.102
DG_NH4(30:1|14:0_16:1)	556.49292	13.829
DG_NH4(30:2|14:1_16:1)	554.477234	13.522
DG_Na(30:5)	553.389221	12.944
LPC(20:1/0:0)	550.386353	10.504
LPC(20:2/0:0)	548.3703	9.959
LPC_Na(18:0)	546.352661	10.376
DG_NH4(28:0|14:0_14:0)	530.477356	13.702
DG_NH4(29:1|13:0_16:1)	542.477173	13.571
LPC_Na(18:2)	542.320984	9.164
LPC_Na(18:3)	540.30481	8.758
Cer(34:1;2O|14:1;2O/20:0)	538.518677	13.691
LPE(22:1)	536.36969	11.455
DG_Na(28:0)	535.432739	13.729
DG_Na(28:1)	533.417053	13.364
LPC_Na(17:0)	532.335938	9.735
LPC_Na(18:1)	544.33667	9.628
CAR(18:2)	424.341278	8.763
CAR(18:3)	422.325653	8.352
CAR(16:0)	400.341461	8.956
CAR(16:1)	398.325562	8.461
ST_H-H2O(29:1;O)	397.382538	17.652
ST_H-H2O(29:2;O)	395.366608	17.336
ST(28:4;O)	395.331299	10.604
ST_H-H2O(28:1;O)	383.36676	17.568
ST_H-H2O(28:2;O)	381.350891	17.164
ST_H-H2O(28:3;O)	379.335938	17.032
MG_NH4(18:0)	376.341736	11.437
DG_NH4(26:1|12:0_14:1)	500.430298	12.897
MG_NH4(18:1)	374.32605	10.78
MG_NH4(18:2)	372.310425	10.245
CAR(14:0)	372.31012	8.183
MG_NH4(18:3)	370.294739	9.655
ST_H-H2O(27:1;O)	369.351196	17.33
ST_H-H2O(27:2;O)	367.33548	16.966
MG_NH4(16:0)	348.310425	10.565
MG_NH4(16:1)	346.2948	9.976
NAE(18:3)	322.273376	10.948
MG_NH4(14:0)	320.279114	9.684
NAE(17:1)	312.289154	12.135
NAE(17:2)	310.273651	11.699
NAE(22:4)	376.317993	9.39
LPC(16:0/0:0)	496.339233	9.422
LPE(19:1)	494.32431	10.196
LPC(16:1/0:0)	494.320953	8.739
LPC_Na(14:0)	490.288513	8.553
CAR(22:0)	484.435547	11.629
LPE(18:0)	482.323792	10.427
LPC(15:0/0:0)	482.32309	9.015
LPE(18:1)	480.308105	9.763
DG_Na(24:0)	479.370117	12.69
LPE(18:2)	478.292358	9.236
DG_Na(24:1)	477.354279	12.354
LPE(14:0)	426.2612	8.708
DG_NH4(24:0|12:0_12:0)	474.414825	12.688
LPC(14:0/0:0)	468.307465	8.594
LPE(17:1)	466.294495	9.433
LPC(14:1/0:0)	466.291321	8.176
CAR(20:0)	456.404297	10.817
LPE(16:0)	454.292419	9.532
LPE(16:1)	452.276489	8.908
LPC(12:0/0:0)	440.275787	7.767
LPE(15:0)	440.276672	9.052
LPE(O-16:2)	436.279846	9.52
CAR(18:0)	428.373047	9.789
CAR(18:1)	426.357056	9.191
LPE(18:3)	476.276611	8.802
PE(33:2|16:1_17:1)	702.505554	13.247
TG_Na(39:1|12:0_13:0_14:1)	701.569885	15.119
HexCer(34:1;2O|18:1;2O/16:0)	700.570984	13.237
PE(O-34:3)	700.526672	13.519
TG_NH4(39:0|12:0_13:0_14:0)	698.628418	15.361
HexCer_H-H2O(34:1;3O)	698.555115	13.026
TG_NH4(39:1|12:0_13:0_14:1)	696.612854	15.108
CE_NH4(20:2)	694.648865	17.332
TG_NH4(39:2|12:0_13:1_14:1)	694.597473	15.055
CE_NH4(20:3)	692.633118	17.062
Cer(36:1;2O|14:1;2O/22:0)	566.550049	14.107
PE(32:1|16:0_16:1)	690.505859	13.276
TG_Na(38:0|12:0_12:0_14:0)	689.568359	15.243
HexCer(32:1;3O)	688.534668	12.519
PE(32:2|14:0_18:2)	688.490479	12.945
TG_Na(38:1|12:0_12:0_14:1)	687.554382	15.035
PE(32:3|14:0_18:3)	686.474854	12.785
TG_NH4(38:0|12:0_12:0_14:0)	684.612732	15.243
PE_Na(30:1)	684.457275	12.837
TG_NH4(38:1|12:0_12:0_14:1)	682.597351	15.04
TG_NH4(38:2|12:0_13:1_13:1)	680.581665	14.922
PC(28:0)	678.503845	12.582
CE_NH4(18:1(d7))	675.677307	17.325
TG_NH4(41:1|13:0_14:0_14:1)	724.643921	15.416
TG_NH4(41:2|14:0_13:1_14:1)	722.628357	15.205
TG_NH4(41:3|13:1_14:1_14:1)	720.61261	15.11
PE(34:1|16:0_18:1)	718.537109	13.724
TG_Na(40:0|12:0_14:0_14:0)	717.59906	15.449
HexCer(34:1;3O)	716.565979	13.066
PC(30:2)	702.508728	12.334
TG_Na(40:1|12:0_14:0_14:1)	715.585449	15.267
PE(34:3|16:1_18:2)	714.505798	13.132
TG_Na(40:2|12:0_14:1_14:1)	713.567688	15.124
TG_NH4(40:0|12:0_14:0_14:0)	712.643982	15.462
PE(34:4|16:1_18:3)	712.490356	12.829
PE_Na(32:1)	712.48877	13.302
TG_NH4(40:1|12:0_14:0_14:1)	710.62854	15.228
PE_Na(32:2)	710.473267	12.978
TG_NH4(40:2|12:0_14:1_14:1)	708.612732	15.133
TG_NH4(40:3|13:1_13:1_14:1)	706.596985	15.001
PC(30:0)	706.537292	13.177
PC(30:1)	704.520325	12.816
PE(34:2|16:0_18:2)	716.521545	13.468
Cer(40:1;2O|18:1;2O/22:0)	622.612366	14.786
DG_Na(34:0)	619.524841	14.73
DG_Na(34:1)	617.51062	14.519
DG_Na(34:2)	615.495117	14.301
DG_NH4(34:0|16:0_18:0)	614.569153	14.735
DG_Na(34:3)	613.479248	14.042
DG_NH4(34:1|16:0_18:1)	612.555481	14.534
DG_NH4(34:2|16:1_18:1)	610.539795	14.298
DG_NH4(34:3|16:1_18:2)	608.523987	14.066
DG_NH4(15:0_18:1(d7))	605.583984	14.333
DG_Na(33:1)	603.495361	14.361
DG_NH4(33:1|17:0_16:1)	598.539917	14.352
DG_NH4(33:2|15:0_18:2)	596.524231	14.128
DG_Na(32:0)	591.495361	14.461
DG_Na(32:1)	589.479614	14.236
DG_Na(32:2)	587.463806	13.934
DG_NH4(32:0|16:0_16:0)	586.538879	14.452
DG_NH4(32:1|16:0_16:1)	584.524231	14.209
DG_NH4(32:2|16:1_16:1)	582.508423	13.93
DG_NH4(32:3|14:1_18:2)	580.492737	13.772
LPC_Na(20:1)	572.368652	10.515
DG_NH4(31:1|15:0_16:1)	570.508423	14.007
LPC_Na(20:2)	570.352661	9.915
Cer(38:1;2O|14:1;2O/24:0)	594.581421	14.481
DG_Na(38:2)	671.55896	14.877
TG_NH4(37:0|11:0_12:0_14:0)	670.597351	15.088
TG_NH4(37:1|12:0_12:0_13:1)	668.581604	14.958
CE_NH4(18:2)	666.617798	16.965
PE(30:1|14:0_16:1)	662.473389	12.798
TG_Na(36:0|12:0_12:0_12:0)	661.537292	14.986
TG_NH4(36:0|12:0_12:0_12:0)	656.581604	15.013
DG_Na(36:1)	645.542236	14.812
DG_Na(36:2)	643.526367	14.62
DG_Na(36:3)	641.51062	14.381
DG_NH4(36:1|18:0_18:1)	640.58667	14.823
DG_Na(36:4)	639.494934	14.158
DG_NH4(36:2|18:1_18:1)	638.570984	14.601
DG_NH4(36:3|18:1_18:2)	636.555359	14.372
DG_NH4(36:4|18:2_18:2)	634.539673	14.155
DG_NH4(36:5|18:2_18:3)	632.523926	13.904
LPE(O-18:3)	462.29538	9.955
LPE(17:0)	468.308167	10.033
PC(31:0)	720.552673	13.4
PC_Na(32:0)	756.551025	13.673
TG_NH4(44:0|14:0_14:0_16:0)	768.706787	15.977
PC(36:1)	788.615173	14.139
15:0-18:1(d7) PG	759.586609	12.546
18:1(d7) MAG	364.342468	10.742
DAG(33_1) (d7)	605.583923	14.361
PC(18_1) (d7) Lyso	529.39801	9.64
PC(33_1) (d7)	753.612061	13.507
PE(18_1) (d7) Lyso	487.354706	9.742
PE(33_1) (d7)	711.565247	13.535
TAG(48_1) (d7)	829.797302	16.271
d18:1-18:1(d9) SM	738.645813	13.176
METABOLITES_END
#END