#METABOLOMICS WORKBENCH chingonwong_20250501_142156 DATATRACK_ID:5877 STUDY_ID:ST003899 ANALYSIS_ID:AN006402 PROJECT_ID:PR002440
VERSION             	1
CREATED_ON             	May 5, 2025, 1:23 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 1)
ST:STUDY_SUMMARY                 	Cohort 1 contained 8 independent lipid samples. Each lipid sample was extracted
ST:STUDY_SUMMARY                 	from a group of 40 fly heads of identical genotype. In total, 4 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           	A1	WT_1	Genotype:w-1118 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=WT_1.mzXML
SUBJECT_SAMPLE_FACTORS           	A2	WT_2	Genotype:w-1118 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=WT_2.mzXML
SUBJECT_SAMPLE_FACTORS           	A3	WT_3	Genotype:w-1118 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=WT_3.mzXML
SUBJECT_SAMPLE_FACTORS           	A4	WT_4	Genotype:w-1118 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=WT_4.mzXML
SUBJECT_SAMPLE_FACTORS           	A5	Treatment_1	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=Treatment_1.mzXML
SUBJECT_SAMPLE_FACTORS           	A6	Treatment_2	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=Treatment_2.mzXML
SUBJECT_SAMPLE_FACTORS           	A7	Treatment_3	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=Treatment_3.mzXML
SUBJECT_SAMPLE_FACTORS           	A8	Treatment_4	Genotype:tty-MI12269 | Sample source:whole head tissue	Date=2/11/2022; RAW_FILE_NAME(Raw file name)=Treatment_4.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	Treatment_1	Treatment_2	Treatment_3	Treatment_4	WT_1	WT_2	WT_3	WT_4
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: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	Genotype:w-1118 | Sample source:whole head tissue
PS(34:1)	5733800	9896737	7757164	11752539	4083625.25	7386858.5	7491296.5	10856671
PG_NH4(34:3|16:1_18:2)	1072125.62	1266035.88	1146753.5	1998694.62	1312166.5	1493924.12	1192323.62	2138528.25
PS(34:2)	8900352	12394388	8816233	11922685	6741969.5	10369071	8755336	12268211
PS(34:3)	3065885.25	4822216.5	3183128	5861507.5	2859562.25	3905924.75	3524730	5734924.5
PS(34:4)	1363633.62	2015689.5	1402420.88	2282049.75	851063.75	1242636.38	1360545	2230337
PE(36:1|18:0_18:1)	27522752	32574794	23081144	43571412	36401620	31949898	34606112	35761908
PE(O-37:2)	265033.47	294074.12	327231.47	479186.41	153706.89	10304.24	192090.19	0
PE(36:2)	58667.21	69449.98	58325.33	144351.17	52521.44	51229.4	50920.72	110403.52
PE(36:2|18:0_18:2)	128765656	129077760	139473152	159526464	132884736	122305320	123008536	153033552
PE(36:3|18:1_18:2)	114281152	116397912	109076552	130942144	124798872	90310568	120782808	136728048
PE(36:4|18:2_18:2)	153041104	135446112	139955984	200037568	174121616	163054192	151170000	202994752
PG_NH4(32:1|16:0_16:1)	1694003.5	2226779	1830039.62	2867471.25	2118046.75	2657858.25	2196300.25	3415588.75
PE_Na(34:2)	1043048.31	1163121.5	1467864.5	2160664.75	1869590.38	1471535.38	1476540	3063474.75
ST_H-H2O(27:2;O)	21519306	21610372	13570129	40658892	39623132	8164988	23215050	36060900
PG_NH4(32:2|16:1_16:1)	805785	801422.06	597885.44	1413059.5	835559.06	840123.56	602665.56	1041507.81
PE(36:6|18:3_18:3)	8020604	5710836	7698428.5	23660382	23833834	10991217	9738116	17206338
PE_Na(34:3)	1078564.62	1086648	1220538.88	755397.69	1044449.81	1032083.25	1152652.75	755585.31
PS(32:1)	1255382.38	2156278.75	1446854	1921554.62	807204.19	1366323.38	1551111	1641307.62
PE(35:1)	3615747	4909520.5	5049075.5	5497458.5	2865704	2179739	3785085.25	4113096.75
PS(32:2)	557850.69	923042.69	716575.56	952125.94	423449.34	613024.5	623156.25	879584.75
PE(34:1)	34924.26	74213.54	56838.14	107978.12	37905.3	55326.61	46196.11	83842.82
PE(34:1|16:0_18:1)	161791616	195880528	185047408	194907760	143255600	174170416	195187712	217891776
HexCer(34:1;3O|16:0;2O/18:1;O)	13861120	14537131	15792300	20301594	10855323	18004178	17984642	21282950
PE(34:2|16:1_18:1)	187728960	223819216	192621952	221974736	163047936	206290608	203379888	238313744
PE(34:3|16:1_18:2)	73928384	89028216	89348752	110572328	73571744	85748600	85073664	104589088
PE(34:4|16:1_18:3)	6876278	8985411	8565650	14115376	7821081.5	8153124	8291922.5	11811731
PE(33:1|16:0_17:1)	4921517.5	8641435	4871331.5	7493251.5	3505019.25	3368827.75	4998908.5	5900192
PE(33:2|16:1_17:1)	3851406.25	6879511.5	4335361	6533452	2743023.25	3732993.25	4074182.75	5688229.5
PE(36:5|18:2_18:3)	53710508	42661956	50351140	96343296	89810712	72472136	60670448	90466568
PI_NH4(36:2)	4622420.5	4904194.5	4881859.5	7072246.5	5039770	5179154	5050873.5	6713557.5
PI_Na(36:5)	1831669	1879890.62	1932025	2111546.25	1899100.88	2077174.5	1893273.12	1936631.38
PI_Na(36:6)	313507.22	332149.78	244232.42	515088.09	321464.28	423384.22	300220.88	481907.5
PI_NH4(36:4)	16056808	22928774	21028572	31531046	20268390	21467574	20921454	28581622
PI_NH4(36:5)	7679631.5	7904587.5	7905500	15297805	7763222.5	9102868	8200534.5	12938529
PI_NH4(36:6)	825596.94	925260.69	687999.94	1815644	921878.69	1220212.25	842692.5	1429544
PI_Na(34:2)	1466111.5	1343632	1301257.62	1071992.88	1370119.75	1357507.12	1553326.12	1195410
PI_NH4(34:1)	2120900.25	2622938.75	2349457.25	4371188	4299563.5	2426183	2571056.75	4047945.25
PI_NH4(34:2)	13512425	18492972	15035027	21730170	10367137	14157187	14868725	20344830
PI_NH4(34:3)	4904268	5733222.5	4817024.5	8249506	3242150.75	4809033	4302667	7046046
PI_NH4(34:4)	770978.5	1032090	905140.31	1876007	630321.94	808245.5	807416.25	1364944.12
PI_NH4(32:1)	2281319.75	2897517.75	2694600	4666996.5	4585424.5	2797321.75	2607442.75	4086038
PG_NH4(34:2|16:0_18:2)	5369054	7714908	5063415.5	8661653	5235446.5	8394554	7279071.5	11134264
PS_Na(36:3)	1123923.12	1100194.38	885847.56	845327.19	906612.44	1043565.25	917927.31	982693.81
PS_Na(36:4)	1576659.88	1433060.38	1483133.62	1146350.88	1106864.12	1503870.62	1359764.25	1335177.5
PS_Na(36:5)	2659263.25	2584850	2209160.75	1903248.38	2681330.25	2798894	2602304.25	2274935.75
PS_Na(36:6)	2337666.75	2418124	1718319.12	2350431.25	2287123.75	2899803	2493929.5	2814287
PG_NH4(36:3|18:1_18:2)	2429319.75	3021951.75	2547442.5	4768611.5	3476619	3542240	3525722.75	4797193.5
PS(36:2)	26565426	31245714	24263344	31648414	20070064	25123680	28557446	34605716
PG_NH4(36:4|18:2_18:2)	2113368.75	2114002.25	2310746	4427620	3224297.25	2835881.25	2529667.25	3923382
PS(36:3)	29919574	36253940	29178234	35572800	22301780	29435464	32083818	32987166
PS(36:4)	37125148	38016164	31534074	43348640	23556350	32535216	34788028	45271068
PS(36:6)	11858855	13931992	7834173.5	18415718	11621307	16521885	13815931	20127536
PE(38:1|20:0_18:1)	2449973.75	2621541.75	2124001.5	5147460.5	6915539.5	1840567.5	3206044.25	4289658.5
PE(38:2|20:0_18:2)	3733974.25	3628276	2516312.75	5598900.5	4912312	2933525.25	4230573.5	5297742.5
PE(38:3|20:0_18:3)	1184455.38	1629164	1214614.5	2019995.38	2077202.38	1643920.88	1599808.62	1944813.12
PG_NH4(34:1|16:0_18:1)	730882.5	939568	720069.81	1174169	3166700	2242996	2076765.88	3289077
PI_NH4(32:2)	2414482.5	2523807.25	2133450.25	5342159.5	2663298.5	1855267.5	1588630.62	2690408
LPC_Na(16:1)	404879.5	255171.94	504291.16	2608133	250257.23	255301.52	220102.92	619565.56
LPC(17:0/0:0)	106441.45	97599.49	254638.2	981730.06	100356.56	100371.9	108335.77	391260.84
LPC(17:1/0:0)	135526.83	88822.15	186782.83	1148847.25	111693.02	100472.41	86277.59	325277.72
LPC(16:0/0:0)	4588226.5	3565891	7355156	33554584	4569803.5	5132155	4430528	14026416
LPC(16:1/0:0)	3336154.75	2278455	4726985.5	24610080	2181209.25	2313867.25	1929082.62	5927850
LPC(16:1)	5357856.5	3688263.75	6520602	39978428	4560829.5	3660871.75	2947631.25	8640897
LPC(15:0/0:0)	287011.41	324575.47	412517.66	1190193.5	151037.05	251878.3	254475.52	377409.09
LPE(18:0)	5164582	3839288	5954770	23327338	6406898	4842782.5	3738730	10046240
LPE(18:1)	22468106	14166267	21032704	68559328	14375340	18696190	14315995	37948920
LPE(18:2)	16907474	9256729	15443947	63759168	19677130	16651763	13475801	35411796
LPE(18:3)	921103.81	1059923.75	969345.19	3944552	1469261	1312617.88	1263891.88	2424019.75
HexCer_H-H2O(34:1;3O)	2889966.75	2821563.25	2946634.25	3635650.25	1785850.5	3434589.75	3713882	4389776.5
LPE(17:0)	361615.62	278712	443006.34	1540128.38	244307.11	252519.17	274160.97	574145.19
LPE(17:1)	361619.12	280364.34	357789.62	1507089.62	276084.56	281787.31	255587.17	670300.06
LPE(16:0)	22167386	21701604	28878174	81160776	15541352	22610602	20198972	48372916
LPE(16:1)	8883420	7186192.5	7729182.5	30591072	6417476.5	7500374.5	5459842	14716372
LPE(15:0)	306582.56	458306.09	470078.16	1582113.5	138164.23	225502.69	218232.83	560220.94
LPE(14:0)	1788165.38	1452143.38	2087950.62	7293657.5	1174743.88	1531211	1346182.38	3338026.25
ST_H-H2O(29:1;O)	5970773.5	6826260	3377387.25	13099023	9357051	7444116	6980405.5	13979867
ST_H-H2O(29:2;O)	1224141.62	1167430.12	498418.59	1886707.88	1881992	666675.75	1116259.5	2233166
ST(28:4;O)	642720.19	1338666.88	707776.31	1257689.12	679181.25	1141715.5	762276	1016944.19
ST_H-H2O(28:1;O)	5018285.5	5680930.5	2659382.25	10021805	6783883.5	6185831.5	5838300.5	9567233
ST_H-H2O(28:2;O)	14748781	16075287	9838973	26717070	22333378	9810691	16054737	24168546
ST_H-H2O(28:3;O)	24895112	25680576	14560144	34645776	39789852	16135437	30526048	44301664
ST_H-H2O(28:4;O)	511338	465899.75	387511.91	757454.69	1277586.38	451865.28	559155.88	769550
ST_H-H2O(27:1;O)	50034444	54573760	37997952	54007040	43567036	22042718	50433388	39362212
LPC(14:0/0:0)	1220103.38	872493.81	1766323.38	6127264	666106	848287.31	706999.19	1938971.5
SE_NH4(29:1/18:1)	2551790.75	2745118.5	1218946	5531873.5	3963214.75	2923741.75	2784168.75	5351681.5
SE_NH4(29:1/18:2)	881281.25	877865.75	462100.22	1499622.62	1107823.12	390371.97	802849	1448862.5
PE(32:0|16:0_16:0)	2396503.25	2955722.75	3032704	3897734.75	2437040.75	1763866	2552989.75	2865759.25
PE(32:1|16:0_16:1)	86494952	128777344	104957080	106031720	74475928	55691556	93769760	116366664
PE(32:2|14:0_18:2)	39771080	51414236	40104808	66369388	46863404	40669924	41962736	57578256
PE(32:3|14:0_18:3)	2144601.75	3803132	2814708	4461451	2395547.75	2419205.5	2663707	3989253.25
SE_NH4(28:1/18:1)	1851805	2090889	946555	3333416.75	2280166	2305846.25	2035628.62	3417128
SE_NH4(28:2/18:1)	4496182	4491869.5	2496609.75	8506141	6883096.5	2818406.25	4557922	6106952
PE(31:1|15:0_16:1)	2409384.25	5100436.5	3845140	5705760	1819339.88	2265938.75	2925284.75	3464154.75
PE(30:0|14:0_16:0)	3103509.25	4822564.5	4291300.5	5018463.5	2384677.25	2305280.25	2839455.25	3779995.25
PE(30:1|14:0_16:1)	14253871	23340130	17368522	29325458	17167422	14351335	16861072	23070424
PE(28:0|14:0_14:0)	1444437.62	2268286	2233572.25	3603770.75	2571364.75	1390243.5	1626307.88	2726733
Cer(38:1;2O|14:1;2O/24:0)	4081297	3864991.75	3201117.25	7815312	3010944	3422060.75	3796039.25	5830368
LPC_Na(16:0)	509151.66	415242.03	998574.31	3838280	502531.5	538691.44	552831.06	1629587.12
Cer(36:1;2O|14:1;2O/22:0)	7716914.5	9276636	5364504.5	14359805	4943323.5	6153156.5	7758520	9460312
Cer_H-H2O(36:1;2O|14:1;2O/22:0)	2200248.25	2295432.25	1398557.62	3598354.75	1257227.25	1899518.38	1998350.38	2288862.25
LPC_Na(18:0)	135521.67	74595.01	136774.12	650294.81	130696.23	119620.94	83696.9	235348.31
LPC_Na(18:1)	366792.16	274072.62	456725.47	1945929.5	404352.12	323394.16	348130.97	1021853.75
LPC_Na(18:2)	636228.56	356545.84	617949.69	3202776.75	511266.75	530275.31	398714.66	1334998.38
Cer(34:1;2O|14:1;2O/20:0)	2556204.25	3408330	2001995	3431318.75	1620092.12	2820811.75	2580909.5	3233685.75
LPC(18:0/0:0)	979606.81	745724.94	1122180.88	4418024	1056468.12	849179.69	778036.69	1962194.38
LPC(18:1)	4198682.5	3295182.75	5102788.5	33085210	4905629.5	4036994.75	3573515.25	12347116
LPC(18:1/0:0)	2487177.25	2027926.88	3554672	20917158	2896644.25	2457708.25	2440676.25	8293038.5
LPC(18:2/0:0)	4939059.5	3190902	4982737	26588374	4269322.5	3880500.25	3045721.25	10438927
LPC(18:2)	7483194	5203014	7051408	40207852	6089636	6317831.5	5074855	15356737
LPC(18:3/0:0)	219913.33	130041.25	224632.12	1418215	203056.12	215363.83	173580.73	464970.12
Cer_H-H2O(38:1;2O|14:1;2O/24:0)	867794.69	817831.44	712560.31	1784331.5	673820.5	832120.56	800628.19	1491489
PE(33_1) (d7)	148541.38	45987.88	89814.34	35459.07	138305.83	83522.35	134933.73	41325.4
PC(33_1) (d7)	9326145	8632131	8996577	5550174.5	8262339.5	9263279	8400377	5667693.5
15:0-18:1(d7) PS	138069.38	151859.61	145010.64	105690.57	133226.5	130474.16	151711.23	103891.35
15:0-18:1(d7) PG	773001.31	810901.56	779638.69	693972.31	784392.69	895821.81	875835.19	663695.81
LPE(18:1(d7))	665338	807397.81	775059	725357	549755.44	583788.06	649066.81	637744.5
PE(18_1) (d7) Lyso	665338	807397.81	775059	725357	549755.44	583788.06	649066.81	637744.5
PC(18_1) (d7) Lyso	4624288	5547814	5803254.5	7879693.5	3528952	4526025.5	4752245.5	5648262.5
LPC(18:1(d7))	4624288	5547814	5803254.5	7879693.5	3528952	4526025.5	4752245.5	5648262.5
18:1(d7) MAG	161139.98	220511.98	258100.73	173679.33	229261.77	191869.42	212296.89	163752.47
DAG(33_1) (d7)	1881210.5	1903658.5	1527163.5	1464075	1836438.88	1549739.12	1774937	1467521.12
TAG(48_1) (d7)	4014183.25	3513383.25	3830865.25	2326064.75	5442385.5	3396918	5193766.5	3062548.25
15:0-18:1(d7) PI	115685.73	127707.63	106752.26	83282.03	133226.77	139805.56	98535.88	70219.4
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	medMz	medRt
PS(34:1)	762.526672	12.777
PG_NH4(34:3|16:1_18:2)	762.527954	12.182
PS(34:2)	760.512268	12.462
PS(34:3)	758.496216	12.16
PS(34:4)	756.482056	11.815
PE(36:1|18:0_18:1)	746.567871	14.131
PE(O-37:2)	744.591003	14.392
PE(36:2)	744.556152	22.266
PE(36:2|18:0_18:2)	744.553345	13.875
PE(36:3|18:1_18:2)	742.537964	13.634
PE(36:4|18:2_18:2)	740.522339	13.276
PG_NH4(32:1|16:0_16:1)	738.526245	12.328
PE_Na(34:2)	738.505798	13.4
ST_H-H2O(27:2;O)	367.335968	16.945
PG_NH4(32:2|16:1_16:1)	736.511719	11.969
PE(36:6|18:3_18:3)	736.490723	12.716
PE_Na(34:3)	736.489014	13.133
PS(32:1)	734.49646	12.318
PE(35:1)	732.553467	13.953
PS(32:2)	732.480835	11.966
PE(34:1)	718.540649	22.253
PE(34:1|16:0_18:1)	718.537659	13.747
HexCer(34:1;3O|16:0;2O/18:1;O)	716.566895	13.054
PE(34:2|16:1_18:1)	716.522766	13.457
PE(34:3|16:1_18:2)	714.507568	13.177
PE(34:4|16:1_18:3)	712.491821	12.833
PE(33:1|16:0_17:1)	704.522644	13.545
PE(33:2|16:1_17:1)	702.508545	13.221
PE(36:5|18:2_18:3)	738.505798	13.005
PI_NH4(36:2)	880.591187	12.849
PI_Na(36:5)	879.498901	11.877
PI_Na(36:6)	877.482727	11.607
PI_NH4(36:4)	876.559204	12.207
PI_NH4(36:5)	874.543579	11.887
PI_NH4(36:6)	872.528442	11.589
PI_Na(34:2)	857.514954	12.383
PI_NH4(34:1)	854.575073	12.706
PI_NH4(34:2)	852.56012	12.4
PI_NH4(34:3)	850.543762	12.088
PI_NH4(34:4)	848.528198	11.713
PI_NH4(32:1)	826.543396	12.22
PG_NH4(34:2|16:0_18:2)	764.542664	12.489
PS_Na(36:3)	808.509705	12.637
PS_Na(36:4)	806.494019	12.291
PS_Na(36:5)	804.477661	11.963
PS_Na(36:6)	802.462585	11.686
PG_NH4(36:3|18:1_18:2)	790.559204	12.637
PS(36:2)	788.54303	12.908
PG_NH4(36:4|18:2_18:2)	788.543152	12.343
PS(36:3)	786.527588	12.614
PS(36:4)	784.511841	12.282
PS(36:6)	780.480835	11.698
PE(38:1|20:0_18:1)	774.598206	14.397
PE(38:2|20:0_18:2)	772.582764	14.228
PE(38:3|20:0_18:3)	770.567566	14.011
PG_NH4(34:1|16:0_18:1)	766.5578	12.751
PI_NH4(32:2)	824.528076	11.858
LPC_Na(16:1)	516.30603	8.838
LPC(17:0/0:0)	510.356506	9.714
LPC(17:1/0:0)	508.33963	9.221
LPC(16:0/0:0)	496.339752	9.419
LPC(16:1/0:0)	494.324646	8.839
LPC(16:1)	494.323944	8.819
LPC(15:0/0:0)	482.324036	9.023
LPE(18:0)	482.32431	10.43
LPE(18:1)	480.308563	9.754
LPE(18:2)	478.292816	9.242
LPE(18:3)	476.277222	8.759
HexCer_H-H2O(34:1;3O)	698.556396	13.095
LPE(17:0)	468.309082	9.869
LPE(17:1)	466.294189	9.349
LPE(16:0)	454.293427	9.538
LPE(16:1)	452.277313	8.939
LPE(15:0)	440.277466	9.089
LPE(14:0)	426.261902	8.721
ST_H-H2O(29:1;O)	397.382996	17.669
ST_H-H2O(29:2;O)	395.366882	17.329
ST(28:4;O)	395.331055	11.583
ST_H-H2O(28:1;O)	383.367188	17.531
ST_H-H2O(28:2;O)	381.351013	17.112
ST_H-H2O(28:3;O)	379.335236	16.991
ST_H-H2O(28:4;O)	377.319122	16.67
ST_H-H2O(27:1;O)	369.351685	17.294
LPC(14:0/0:0)	468.308258	8.592
SE_NH4(29:1/18:1)	696.665466	17.669
SE_NH4(29:1/18:2)	694.649719	17.314
PE(32:0|16:0_16:0)	692.521729	13.665
PE(32:1|16:0_16:1)	690.506836	13.337
PE(32:2|14:0_18:2)	688.492493	12.972
PE(32:3|14:0_18:3)	686.476196	12.697
SE_NH4(28:1/18:1)	682.650208	17.509
SE_NH4(28:2/18:1)	680.634399	17.161
PE(31:1|15:0_16:1)	676.491394	13.097
PE(30:0|14:0_16:0)	664.491028	13.207
PE(30:1|14:0_16:1)	662.475342	12.831
PE(28:0|14:0_14:0)	636.459778	12.702
Cer(38:1;2O|14:1;2O/24:0)	594.582275	14.439
LPC_Na(16:0)	518.321838	9.463
Cer(36:1;2O|14:1;2O/22:0)	566.550842	14.13
Cer_H-H2O(36:1;2O|14:1;2O/22:0)	548.540283	14.138
LPC_Na(18:0)	546.353333	10.327
LPC_Na(18:1)	544.337219	9.637
LPC_Na(18:2)	542.320984	9.143
Cer(34:1;2O|14:1;2O/20:0)	538.51947	13.724
LPC(18:0/0:0)	524.370605	10.313
LPC(18:1)	522.355469	9.645
LPC(18:1/0:0)	522.356201	9.655
LPC(18:2/0:0)	520.339478	9.132
LPC(18:2)	520.339233	9.075
LPC(18:3/0:0)	518.323303	8.713
Cer_H-H2O(38:1;2O|14:1;2O/24:0)	576.572388	14.423
PE(33_1) (d7)	711.56665	13.514
PC(33_1) (d7)	753.613037	13.459
15:0-18:1(d7) PS	755.557251	12.559
15:0-18:1(d7) PG	759.586304	12.562
LPE(18:1(d7))	487.353882	9.682
PE(18_1) (d7) Lyso	487.354401	9.791
PC(18_1) (d7) Lyso	529.397949	9.628
LPC(18:1(d7))	529.397949	9.628
18:1(d7) MAG	364.341766	8.891
DAG(33_1) (d7)	605.585388	14.441
TAG(48_1) (d7)	829.798584	16.253
15:0-18:1(d7) PI	847.602722	12.451
METABOLITES_END
#END