#METABOLOMICS WORKBENCH Giovanni_DAngelo_20210129_234433 DATATRACK_ID:2437 STUDY_ID:ST001674 ANALYSIS_ID:AN002732 PROJECT_ID:PR001077
VERSION             	1
CREATED_ON             	February 2, 2021, 10:52 am
#PROJECT
PR:PROJECT_TITLE                 	Untargeted phospholipid analysis of HeLa silenced for or overexpressing GOLPH3
PR:PROJECT_SUMMARY               	A group of sequentially-acting enzymes operating at the branchpoint among
PR:PROJECT_SUMMARY               	sphingolipid synthetic pathways binds the Golgi-localised oncoprotein GOLPH3.
PR:PROJECT_SUMMARY               	GOLPH3 sorts these enzymes into vesicles for intra-Golgi retro-transport, acting
PR:PROJECT_SUMMARY               	as a component of the cisternae inter-conversion mechanisms. Through these
PR:PROJECT_SUMMARY               	effects, GOLPH3 controls the sub-Golgi localisation, and the lysosomal
PR:PROJECT_SUMMARY               	degradation rate of specific enzymes. Here we evaluated the impact of
PR:PROJECT_SUMMARY               	overexpressing or silencing GOLPH3 on the glycerophospholipid composition of
PR:PROJECT_SUMMARY               	HeLa cells by untargeted lipid analysis.
PR:INSTITUTE                     	École polytechnique fédérale de Lausanne (EPFL)
PR:DEPARTMENT                    	IBI
PR:LABORATORY                    	UPDANGELO
PR:LAST_NAME                     	D'Angelo
PR:FIRST_NAME                    	Giovanni
PR:ADDRESS                       	Station 15, Lausanne, Vaud, 1015, Switzerland
PR:EMAIL                         	giovanni.dangelo@epfl.ch
PR:PHONE                         	+41 216934276
#STUDY
ST:STUDY_TITLE                   	Untargeted phospholipid analysis of HeLa silenced for or overexpressing GOLPH3
ST:STUDY_SUMMARY                 	A group of sequentially-acting enzymes operating at the branchpoint among
ST:STUDY_SUMMARY                 	sphingolipid synthetic pathways binds the Golgi-localised oncoprotein GOLPH3.
ST:STUDY_SUMMARY                 	GOLPH3 sorts these enzymes into vesicles for intra-Golgi retro-transport, acting
ST:STUDY_SUMMARY                 	as a component of the cisternae inter-conversion mechanisms. Through these
ST:STUDY_SUMMARY                 	effects, GOLPH3 controls the sub-Golgi localisation, and the lysosomal
ST:STUDY_SUMMARY                 	degradation rate of specific enzymes. Here we evaluated the impact of
ST:STUDY_SUMMARY                 	overexpressing or silencing GOLPH3 on the glycerophospholipid composition of
ST:STUDY_SUMMARY                 	HeLa cells by untargeted lipid analysis.
ST:INSTITUTE                     	École polytechnique fédérale de Lausanne (EPFL)
ST:DEPARTMENT                    	IBI
ST:LABORATORY                    	UPDANGELO
ST:LAST_NAME                     	D'Angelo
ST:FIRST_NAME                    	Giovanni
ST:ADDRESS                       	Station 15, Lausanne, Vaud, 1015, Switzerland
ST:EMAIL                         	giovanni.dangelo@epfl.ch
ST:PHONE                         	+41 216934276
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
#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           	-	CTRL_1	Treatment:no treatment	RAW_FILE_NAME=CTRL_1.raw
SUBJECT_SAMPLE_FACTORS           	-	CTRL_2	Treatment:no treatment	RAW_FILE_NAME=CTRL_2.raw
SUBJECT_SAMPLE_FACTORS           	-	GOLPH3_OE_1	Treatment:GOLPH3 overexpression	RAW_FILE_NAME=GOLPH3_OE_1.raw
SUBJECT_SAMPLE_FACTORS           	-	GOLPH3_OE_2	Treatment:GOLPH3 overexpression	RAW_FILE_NAME=GOLPH3_OE_2.raw
SUBJECT_SAMPLE_FACTORS           	-	GOLPH3_KD_1	Treatment:GOLPH3 silencing	RAW_FILE_NAME=GOLPH3_KD_1.raw
SUBJECT_SAMPLE_FACTORS           	-	GOLPH3_KD_2	Treatment:GOLPH3 silencing	RAW_FILE_NAME=GOLPH3_KD_2.raw
#COLLECTION
CO:COLLECTION_SUMMARY            	Cells were collected by scraping after ice cold PBS washes
CO:SAMPLE_TYPE                   	HeLa cells
#TREATMENT
TR:TREATMENT_SUMMARY             	HeLa cells were treated to overexpress or down regulate the protein GOLPH3
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	Total lipid extracts were prepared using a standard MTBE protocol followed by a
SP:SAMPLEPREP_SUMMARY            	methylamine treatment for total lipid analysis by mass spectrometry. Briefly,
SP:SAMPLEPREP_SUMMARY            	cell pellets or viral fractions were resuspended in 100 μL H2O. 360 μL
SP:SAMPLEPREP_SUMMARY            	methanol and 1.2 mL of MTBE were added and samples were placed for 10 min on a
SP:SAMPLEPREP_SUMMARY            	vortex at 4 C followed by incubation for 1 h at room temperature on a shaker.
SP:SAMPLEPREP_SUMMARY            	Phase separation was induced by addition of 200 μL of H2O. After 10 min at room
SP:SAMPLEPREP_SUMMARY            	temperature, samples were centrifuged at 1000 g for 10 min. The upper (organic)
SP:SAMPLEPREP_SUMMARY            	phase was transferred into a glass tube and the lower phase was re-extracted
SP:SAMPLEPREP_SUMMARY            	with 400 μL artificial upper phase [MTBE/methanol/H2O (10:3:1.5, v/v/v)]. The
SP:SAMPLEPREP_SUMMARY            	combined organic phases were dried in a vacuum concentrator. Lipids where then
SP:SAMPLEPREP_SUMMARY            	resuspended in 500 μL of ChCl3.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_SUMMARY        	Lipid extracts (2 μL injection volume in ChCl3:MeOH 2:1) were separated over an
CH:CHROMATOGRAPHY_SUMMARY        	8 minutes gradient at a flow rate of 200 μL/min on a HILIC Kinetex Column
CH:CHROMATOGRAPHY_SUMMARY        	(2.6lm, 2.1 × 50 mm2) on a Shimadzu Prominence UFPLC xr system (Tokyo, Japan).
CH:CHROMATOGRAPHY_SUMMARY        	Mobile phase A was acetonitrile:methanol 10:1 (v/v) containing 10 mM ammonium
CH:CHROMATOGRAPHY_SUMMARY        	formate and 0.5% formic acid while mobile phase B was deionized water containing
CH:CHROMATOGRAPHY_SUMMARY        	10 mM ammonium formate and 0.5% formic acid. The elution of the gradient began
CH:CHROMATOGRAPHY_SUMMARY        	with 5% B at a 200 μL/min flow and increased linearly to 50% B over 7 min, then
CH:CHROMATOGRAPHY_SUMMARY        	the elution continued at 50% B for 1.5 min and finally, the column was
CH:CHROMATOGRAPHY_SUMMARY        	re-equilibrated for 2.5 min.
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Shimadzu Prominence UFPLC xr system
CH:COLUMN_NAME                   	HILIC Kinetex Column (2.6lm, 2.1 × 50 mm2)
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
#MS
MS:INSTRUMENT_NAME               	Thermo Orbitrap Elite Hybrid Ion Trap-Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	MS data were acquired in full-scan mode at high resolution on a hybrid Orbitrap
MS:MS_COMMENTS                   	Elite (Thermo Fisher Scientific, Bremen, Germany). The system was operated at
MS:MS_COMMENTS                   	240,000 resolution (m/z 400) with an AGC set at 1.0E6 and one microscan set at
MS:MS_COMMENTS                   	10-ms maximum injection time. The heated electrospray source HESI II was
MS:MS_COMMENTS                   	operated in positive mode at a temperature of 90 C and a source voltage at
MS:MS_COMMENTS                   	4.0KV. Sheath gas and auxiliary gas were set at 20 and 5 arbitrary units,
MS:MS_COMMENTS                   	respectively, while the transfer capillary temperature was set to 275 °C. Mass
MS:MS_COMMENTS                   	spectrometry data were acquired with LTQ Tuneplus2.7SP2 and treated with
MS:MS_COMMENTS                   	Xcalibur 4.0QF2 (Thermo Fisher Scientific). Lipid identification was carried out
MS:MS_COMMENTS                   	with Lipid Data Analyzer II (LDA v. 2.6.3, IGB-TUG Graz University) (Hartler et
MS:MS_COMMENTS                   	al., 2011). The LDA algorithm identifies peaks by their respective retention
MS:MS_COMMENTS                   	time, m/z and intensity. Care was taken to calibrate the instrument regularly to
MS:MS_COMMENTS                   	ensure a mass accuracy consistently lower than 3 ppm thereby leaving only few
MS:MS_COMMENTS                   	theoretical possibilities for elemental assignment.
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	intensities
MS_METABOLITE_DATA_START
Samples	CTRL_1	CTRL_2	GOLPH3_OE_1	GOLPH3_OE_2	GOLPH3_KD_1	GOLPH3_KD_2
Factors	Treatment:no treatment	Treatment:no treatment	Treatment:GOLPH3 overexpression	Treatment:GOLPH3 overexpression	Treatment:GOLPH3 silencing	Treatment:GOLPH3 silencing
GL02_DAG_DGOTheo_56:14_NH4_1 1_880.71771	892951.5	1713363	3072369.75	3029211.75	2580072.5	647211.625
GL02_DAG_2010004_34:1_NH4_1 1_612.55615	593224.4375	1548995	2728272.5	2788473	2762170.25	577432.8125
GL02_DAG_2010049_36:2_NH4_1 1_638.57178	365428.3125	1808094.125	3148346	2817712.5	3037733.75	410955.9688
GL02_DAG_2010001_32:0_NH4_1 1_586.54047	613714.25	698180.9375	1070272.375	1331966.875	1009177.75	651277.0625
GL02_DAG_2010003_34:0_NH4_1 1_614.57178	476791.7188	774512.875	1400629.625	1270643.125	1000539.875	454132.5625
GL03_TAG_TGTheo_38:10_NH4_1 1_664.45715	77899840	52759376	83476872	64113108	66839132	46402152
GL03_TAG_3010083_52:2_NH4_1 1_876.80145	3076598.25	7724563.5	12760181	10692986	14127506	3164435
GL03_TAG_3010005_50:1_NH4_1 1_850.78583	2509559.75	5862073.5	5755390.5	4449627	9252194	2442531.75
GL03_TAG_3010233_54:3_NH4_1 1_902.81714	1385123.25	3773335.25	7319395.5	6793415	5935368	1234666.625
GL03_TAG_3010032_50:2_NH4_1 1_848.77014	1212589.25	3831283.25	4947030.5	3589706.75	6969651.5	1402266.75
GL03_TAG_TGOTheo_64:20_NH4_1 1_994.72827	3779710.25	1748572.25	3688647.75	3623820.5	2459016.25	2563816.25
GL03_TAG_3010017_48:1_NH4_1 1_822.75452	1074054.5	2917685	2443954.5	2366192.5	5286004	1001815.375
GL03_TAG_3010099_52:3_NH4_1 1_874.78583	748877.5	2137563.25	3101121	2976498.75	4202738	1091489.875
GL03_TAG_TGTheo_29:7_NH4_1 1_544.36328	1869369.625	2072251.875	2138317.75	2236701.25	1697356.875	1197999.25
GL03_TAG_3010203_54:2_NH4_1 1_904.83276	835732.0625	1656529.25	3288281.25	2855082	3287183.25	873637.0625
GL03_TAG_3010071_52:1_NH4_1 1_878.81714	1052826.25	1896291.875	2142652.75	1911792.125	3678522.25	1056840
GL03_TAG_TGdOTheo_56:14_NH4_1 1_880.71771	892951.5	1713363	3072369.75	3029211.75	2580072.5	647211.625
GL03_TAG_TGOTheo_34:1_NH4_1 1_612.55615	593224.4375	1548995	2728272.5	2788473	2762170.25	577432.8125
GL03_TAG_TGTheo_34:10_NH4_1 1_608.39453	1689843.75	1426876.875	2081597.25	1276056.25	1575631.25	1015336.5
GL03_TAG_TGOTheo_36:2_NH4_1 1_638.57178	365428.3125	1808094.125	3148346	2817712.5	3037733.75	410955.9688
GL03_TAG_3010001_48:0_NH4_1 1_824.77014	716335.5625	1685073.5	1264812	1226022.5	2471782	672140.0625
GL03_TAG_3010004_50:0_NH4_1 1_852.80145	535684.5625	873805.6875	1340778.75	1227548.375	1120342.125	510721.8125
GL03_TAG_TGOTheo_32:0_NH4_1 1_586.54047	613714.25	698180.9375	1070272.375	1331966.875	1009177.75	651277.0625
GL03_TAG_TGOTheo_34:0_NH4_1 1_614.57178	476791.7188	774512.875	1400629.625	1270643.125	1000539.875	454132.5625
GL03_TAG_3010018_48:2_NH4_1 1_820.73883	303362.2813	1014347.25	838164.375	1100738.375	1786460.75	477394.125
GL03_TAG_3010266_54:4_NH4_1 1_900.80145	464333.5625	518519.7813	727898.8125	835501.875	945717.125	462726.25
GL03_TAG_3010037_50:3_NH4_1 1_846.75452	255009.9219	597382	767045.8125	732644.8125	1121601.5	245011.5469
GP01_PC_1010005_34:1_H_1 1_760.58508	205619232	345358144	696787520	552147072	601903424	71289200
GP01_PC_1010764_36:2_H_1 1_786.60071	59478560	192875856	453701632	341161344	362007136	22104926
GP01_PC_1010490_32:1_H_1 2_732.55377	100721520	164244144	328054496	251746272	20039284	35523576
GP01_PC_1010585_34:2_H_1 1_758.5694	63489096	99445512	186674720	146702640	175095648	24517654
GP01_PC_1010397_32:0_H_1 1_734.5694	86421416	75297400	176015296	128042624	115614336	22942934
GP01_PC_1010395_30:0_H_1 1_706.53815	40778872	62346312	143139808	98890216	112908280	11776293
GP01_PC_1020003_34:1_H_1 1_746.60583	17114346	50766684	135243760	105819904	93539808	4892604
GP01_PC_1010750_36:1_H_1 1_788.61639	20721750	26277692	100131600	75157608	75357080	8265608.5
GP01_PC_1010622_36:3_H_1 2_784.58508	32039722	22535954	43561804	32951608	45536776	12809057
GP01_PC_1010645_38:5_H_1 1_808.58508	30504070	14037457	40789464	28505138	27647554	13029944
GP01_PC_1010007_36:4_H_1 2_782.5694	41395884	11622743	25858596	18782954	23055760	16339306
GP01_PC_1020015_32:0_H_1 1_720.59015	7751754.5	22959092	60479968	39682924	40155184	1721135.5
GP01_PC_1010650_38:6_H_1 1_806.5694	24089710	8022245.5	25561900	19174034	19229850	9756235
GP01_PC_1010541_33:1_H_1 2_746.5694	16557862	14142167	28601640	1997948.25	29660398	6436550
GP01_PC_1010494_32:2_H_1 1_730.53815	8128272	10879952	23531440	16926930	21648946	3125977.5
GP01_PC_1010788_38:2_H_1 1_814.63202	3470823.25	13862222	44750944	31990546	26969066	1037678.125
GP01_PC_1020039_34:2_H_1 1_744.59015	5137198	15085152	28986620	22888158	16734570	1638486.25
GP01_PC_1010642_38:4_H_1 1_810.60071	15203830	5949251.5	16120818	11173991	11894721	5704853.5
GP01_PC_1010440_30:1_H_1 1_704.52246	4638427	11256822	21597784	16771798	22771372	1650229.5
GP01_PC_1011360_35:2_H_1 1_772.58508	5455942.5	9462687	18926638	14478619	18266018	2332063
GP01_PC_1010633_36:5_H_1 1_780.55377	21696704	4667939.5	9832374	6549380	9376288	8254786
GP01_PC_1010711_35:1_H_1 1_774.60071	5940691.5	8656845	19963694	14472339	14194803	2340976.75
GP01_PC_1010396_31:0_H_1 2_720.55377	8827354	5963470.5	16819246	11923246	11162974	2861883
GP01_PC_1010847_40:7_H_1 1_832.58508	8367682	4793918	15617247	12362189	9520762	3475898
GP01_PC_1010821_40:6_H_1 1_834.60071	6681445.5	4640301	16407441	12197981	8518287	3245780.25
GP01_PC_1020188_36:2_H_1 1_772.62146	1742120.25	10224204	26255820	19665072	16205198	925170.375
GP01_PC_1020066_38:5_H_1 1_794.60583	4833095	4704727.5	16532145	11801883	12073404	1829815
GP01_PC_1010795_38:3_H_1 1_812.61639	4881074.5	4992114.5	15353761	10818377	10479808	1626485.125
GP01_PC_1020054_36:4_H_1 1_768.59015	4437628	4781204.5	14261938	9360887	8988971	1486196.5
GP01_PC_1020053_36:3_H_1 1_770.60583	2330266.75	6093723	15169809	12841486	12961617	705096.9375
GP01_PC_1010598_34:3_H_1 1_756.55377	5721770.5	4337248	6854430.5	5533000.5	8058068.5	2320834
GP01_PC_1010399_33:0_H_1 1_748.58508	4244766.5	4287863.5	9714932	8658021	6261367	1135737.875
GP01_PC_1010390_28:0_H_1 1_678.50684	1904759.125	5980393.5	14045567	9509992	12872091	366196.1875
GP01_PC_1020017_32:2_H_1 1_716.55884	1947932.5	3869777	10602303	7329644	6042726	589730.75
GP01_PC_1010816_40:5_H_1 1_836.61639	3156636.75	2053844.375	7242148	5082115	4116749	1508954.375
GP01_PC_IS1010002_31:1_H_1 1_718.53815	2821704.25	2756787	4906511	4430940.5	5742689.5	1068591.875
GP01_PC_1011428_37:2_H_1 1_800.61639	1509912.25	3560507	9172463	5837145	7403182.5	462478.6563
GP01_PC_1020033_34:0_H_1 1_748.62146	2052487.125	2896573	8426435	5875050	5116459.5	380973.6563
GP01_PC_1020100_38:4_H_1 1_796.62146	2508397.75	1939300.125	6040362	4378531	3531259.75	665937.4375
GP01_PC_1020052_36:1_H_1 1_774.63708	792896.6875	3603926	10785094	7648928.5	6545111	177465.2031
GP01_PC_1020110_40:6_H_1 1_820.62146	1555091.25	1901548.75	7214059	4615590.5	3925100.25	452139.9063
GP01_PC_1030014_40:6_H_1 1_818.60583	1102505.125	2210458	7816110.5	6020019.5	4366955	338004.0938
GP01_PC_1010543_33:2_H_1 1_744.55377	2115095	2186931.75	3813988.75	2453241.25	3688119.5	1004412.125
GP01_PC_1020012_30:0_H_1 2_692.55884	2259063.75	374855.2813	23850514	1003313.688	13731213	551541.3125
GP01_PC_1020014_30:1_H_1 1_690.54321	1278350	2516627	5964872.5	5251810.5	3001808.25	236543.4688
GP01_PC_1020058_36:5_H_2 1_766.57452	1750491.875	1049998.625	3067634	2244862.5	3142967.25	530427.375
GP01_PC_1030015_38:6_H_1 1_790.57452	1348748.375	783957.1875	3450262.25	2572318.5	2239536	485675.2813
GP01_PC_1020041_34:3_H_1 1_742.57452	594089.4375	1209273.75	4971333.5	3552632.75	2522425.75	178909.8281
GP01_PC_1010696_38:7_H_1 1_804.55377	1414552.625	799555.375	1977402	1566311.25	1700742.25	952812.6875
GP01_PC_1011459_37:3_H_1 1_798.60071	1032290	1123380	2716538.25	2039120.25	2307644.75	363826.0313
GP01_PC_1010394_29:0_H_1 1_692.52246	1115953.625	1196411.75	3367480	2700880.25	1538159.375	258393.3281
GP01_PC_1020058_36:5_H_1 1_766.57452	995563.5	543311.5	2531429.75	1826219.875	1150073.5	436922.6563
GP01_PC_1011423_35:3_H_1 1_770.5694	913295.6875	671605.1875	1030582.438	652142.6875	1337701.5	440632.125
GP01_PC_1010512_36:6_H_1 1_778.53815	1229337.75	472122.3438	1179529	681858.0625	805175.75	541066.4375
GP01_PC_1010003_37:4_H_1 1_796.58508	1275429.75	354514.6563	1009945.125	786857.0625	952349.1875	525595.25
GP01_PC_1030040_36:5_H_1 1_764.55884	1092314.875	424518.8438	1204960.25	995895.25	723244.3125	334687.375
GP01_PC_1020107_40:5_H_1 1_822.63708	530341.75	393525.75	1775944.875	1386546.375	1087191.25	130376.9453
GP01_PC_1010813_40:4_H_1 1_838.63202	409618.5	453772	1782334.5	1612192.75	804598.9375	155184.4063
GP01_PC_1011834_42:7_H_1 1_860.61639	421413	349786.4688	1796547.875	1240931.125	862949.3125	202240.2813
GP02_PE_2010039_36:2_H_1 1_744.55377	28399112	44438972	54503252	47246164	67301192	13387708
GP02_PE_2020020_38:6_H_1 1_750.54321	13031220	14011208	23140766	19430286	22859784	5953176
GP02_PE_2010009_34:1_H_1 1_718.53815	5932887.5	21734890	31027100	26668046	32262544	2323693.5
GP02_PE_2020095_36:5_H_1 1_724.52759	12051998	12229416	19941562	15809249	18447568	5536403
GP02_PE_2010538_38:5_H_1 1_766.53815	13285239	9932355	16728204	12965842	15681066	6528123
GP02_PE_2010114_38:4_H_1 1_768.55377	10480536	10690702	18271858	14578326	15507879	5149842
GP02_PE_2030001_38:6_H_1 1_748.52759	8917982	8709457	16763640	13858138	15901113	3685007.75
GP02_PE_2010036_36:1_H_1 1_746.5694	4803297.5	12333058	16316716	15445573	16892972	2419933
GP02_PE_2010042_34:2_H_1 1_716.52246	2888644	10967069	17851210	13690187	18607186	1300432.625
GP02_PE_2020100_34:2_H_1 1_702.54321	3277028.5	9454442	15657865	14223872	11971947	1526829.625
GP02_PE_2010094_40:6_H_1 1_792.55377	3745391.25	7050121.5	12582733	10634973	10550161	1994242.25
GP02_PE_2020006_38:5_H_1 1_752.55884	5931680	5141460.5	8776723	7384103.5	8149221.5	2484722.25
GP02_PE_2030005_40:6_H_1 1_776.55884	4277000	3925123.5	9191998	7575315	6806062	1853378
GP02_PE_2030028_36:5_H_1 1_722.5119	5433485.5	3779250.25	5652666	5217070.5	7146989	2341923.5
GP02_PE_2010095_38:6_H_1 1_764.52246	4971309.5	3884729.5	6415930	5128559	6605909.5	2197755
GP02_PE_2010708_40:7_H_1 1_790.53815	3085513.25	3620861.25	6566979	5545489	6653968.5	1548059.375
GP02_PE_2010048_36:3_H_1 1_742.53815	3076516.75	4099982.75	6213781	4737771.5	6484342	1389914.375
GP02_PE_2030006_40:7_H_1 1_774.54321	2995212.75	3648053.25	8015828	5434549	5998189.5	1160094.25
GP02_PE_2020049_36:3_H_1 1_728.55884	1411611.25	4417959	7735647	6800598	6422118.5	585236
GP02_PE_2010372_32:1_H_1 1_690.50684	1139772.375	5120609.5	8941431	6719699	10233808	326315.4063
GP02_PE_2010096_36:4_H_1 1_740.52246	3004377.75	3041319	4858863	3721686	4296354.5	1332789
GP02_PE_2020104_40:6_H_1 1_778.57452	2024175.875	1563339.125	3161742.5	2710033.25	2933674	920191.375
GP02_PE_2010122_38:2_H_1 1_772.58508	928087.8125	2717821	4368437	4063151	3321668	323567.5
GP02_PE_2010652_40:5_H_1 1_794.5694	1123266	2082979.875	3840360.75	3003589.75	2992919	565177.625
GP02_PE_2020033_36:2_H_1 1_730.57452	935206.75	2188079.75	3096612	3016299.75	2755453.75	296353.5625
GP02_PE_2010450_36:5_H_1 1_738.50684	1554438.5	1416366.625	1957413.75	1420554.625	1928024	729618.5625
GP02_PE_2010537_38:3_H_1 1_770.5694	967253.0625	1388162.25	2729922	2351225.25	1977694	354370.9063
GP02_PE_2020019_36:4_H_1 1_726.54321	629150.5	1653689.25	2869196.25	2344642.75	2416937.5	343162.8125
GP02_PE_2020098_34:3_H_1 1_700.52759	644196.4375	1593362	2723463.75	2199210.75	2353116.25	197535
GP02_PE_2010403_35:2_H_1 1_730.53815	839067.625	1405710.75	1724143.25	1748616.75	2168376.75	299301.4063
GP02_PE_2010339_34:1_H_1 1_732.55377	566036	1156293.875	1868880	1427681	1479374.25	218267.7344
GP02_PE_PPETheo_37:4_H_1 1_738.54321	854798.625	606209.5	943272.9375	784231.5	795523.25	418813.3125
GP02_PE_2010331_36:2_H_1 1_758.5694	215584.0781	644904.75	828583.1875	722296.625	1048948.875	111540.8594
GP03_PS_3010025_36:1_H_1 1_790.55927	5048821.5	6932146	2697904.5	5319172	8074659.5	2082669.5
GP03_PS_3010030_36:2_H_1 1_788.54358	2269623.25	3113896.25	2063510.875	2922302.5	4419123	892768.5625
GP03_PS_3010007_34:1_H_1 1_762.52795	1359689	3737218.5	1734651.25	2407007	4167818.5	401387.9063
GP03_PS_3010040_40:6_H_1 1_836.54358	1397838.5	797143.4375	699889	1131596.375	1188853	721675.3125
GP04_PG_4010002_34:1_NH4_1 1_766.55927	1063269.375	2188192.5	6378571	4688583.5	6133792.5	722977.5
GP04_PG_4010027_32:0_NH4_1 1_740.54358	365415.9375	606742.5	2475118	1658029.875	1515562.5	155265.9063
GP06_PI_6010075_36:2_NH4_1 1_880.59094	1735070.375	5280272.5	3750326.25	5401727	6507065	688925.875
GP06_PI_6010074_36:1_NH4_1 1_882.60657	1427064.625	3447889	2095616.875	3507716.25	3378439.25	589104.875
GP06_PI_6010193_38:5_NH4_1 1_902.57532	2039626.875	1770581	1523789.875	1614619.125	2711484.25	943105.75
GP06_PI_6010192_38:3_NH4_1 1_906.60657	1253165.625	1397327.75	1111700.125	1522785.25	1785312.375	769082.0625
GP06_PI_6010001_34:1_NH4_1 1_854.57532	756131.8125	1984898.75	1658821.375	2193574.25	1905689.75	380973.5
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	Lipid_Class	adduct	quantitated m/z
GL02_DAG_DGOTheo_56:14_NH4_1 1_880.71771	DAG	NH4	880.71771
GL02_DAG_2010004_34:1_NH4_1 1_612.55615	DAG	NH4	612.55615
GL02_DAG_2010049_36:2_NH4_1 1_638.57178	DAG	NH4	638.57178
GL02_DAG_2010001_32:0_NH4_1 1_586.54047	DAG	NH4	586.54047
GL02_DAG_2010003_34:0_NH4_1 1_614.57178	DAG	NH4	614.57178
GL03_TAG_TGTheo_38:10_NH4_1 1_664.45715	TAG	NH4	664.45715
GL03_TAG_3010083_52:2_NH4_1 1_876.80145	TAG	NH4	876.80145
GL03_TAG_3010005_50:1_NH4_1 1_850.78583	TAG	NH4	850.78583
GL03_TAG_3010233_54:3_NH4_1 1_902.81714	TAG	NH4	902.81714
GL03_TAG_3010032_50:2_NH4_1 1_848.77014	TAG	NH4	848.77014
GL03_TAG_TGOTheo_64:20_NH4_1 1_994.72827	TAG	NH4	994.72827
GL03_TAG_3010017_48:1_NH4_1 1_822.75452	TAG	NH4	822.75452
GL03_TAG_3010099_52:3_NH4_1 1_874.78583	TAG	NH4	874.78583
GL03_TAG_TGTheo_29:7_NH4_1 1_544.36328	TAG	NH4	544.36328
GL03_TAG_3010203_54:2_NH4_1 1_904.83276	TAG	NH4	904.83276
GL03_TAG_3010071_52:1_NH4_1 1_878.81714	TAG	NH4	878.81714
GL03_TAG_TGdOTheo_56:14_NH4_1 1_880.71771	TAG	NH4	880.71771
GL03_TAG_TGOTheo_34:1_NH4_1 1_612.55615	TAG	NH4	612.55615
GL03_TAG_TGTheo_34:10_NH4_1 1_608.39453	TAG	NH4	608.39453
GL03_TAG_TGOTheo_36:2_NH4_1 1_638.57178	TAG	NH4	638.57178
GL03_TAG_3010001_48:0_NH4_1 1_824.77014	TAG	NH4	824.77014
GL03_TAG_3010004_50:0_NH4_1 1_852.80145	TAG	NH4	852.80145
GL03_TAG_TGOTheo_32:0_NH4_1 1_586.54047	TAG	NH4	586.54047
GL03_TAG_TGOTheo_34:0_NH4_1 1_614.57178	TAG	NH4	614.57178
GL03_TAG_3010018_48:2_NH4_1 1_820.73883	TAG	NH4	820.73883
GL03_TAG_3010266_54:4_NH4_1 1_900.80145	TAG	NH4	900.80145
GL03_TAG_3010037_50:3_NH4_1 1_846.75452	TAG	NH4	846.75452
GP01_PC_1010005_34:1_H_1 1_760.58508	PC	H	760.58508
GP01_PC_1010764_36:2_H_1 1_786.60071	PC	H	786.60071
GP01_PC_1010490_32:1_H_1 2_732.55377	PC	H	732.55377
GP01_PC_1010585_34:2_H_1 1_758.5694	PC	H	758.5694
GP01_PC_1010397_32:0_H_1 1_734.5694	PC	H	734.5694
GP01_PC_1010395_30:0_H_1 1_706.53815	PC	H	706.53815
GP01_PC_1020003_34:1_H_1 1_746.60583	PC	H	746.60583
GP01_PC_1010750_36:1_H_1 1_788.61639	PC	H	788.61639
GP01_PC_1010622_36:3_H_1 2_784.58508	PC	H	784.58508
GP01_PC_1010645_38:5_H_1 1_808.58508	PC	H	808.58508
GP01_PC_1010007_36:4_H_1 2_782.5694	PC	H	782.5694
GP01_PC_1020015_32:0_H_1 1_720.59015	PC	H	720.59015
GP01_PC_1010650_38:6_H_1 1_806.5694	PC	H	806.5694
GP01_PC_1010541_33:1_H_1 2_746.5694	PC	H	746.5694
GP01_PC_1010494_32:2_H_1 1_730.53815	PC	H	730.53815
GP01_PC_1010788_38:2_H_1 1_814.63202	PC	H	814.63202
GP01_PC_1020039_34:2_H_1 1_744.59015	PC	H	744.59015
GP01_PC_1010642_38:4_H_1 1_810.60071	PC	H	810.60071
GP01_PC_1010440_30:1_H_1 1_704.52246	PC	H	704.52246
GP01_PC_1011360_35:2_H_1 1_772.58508	PC	H	772.58508
GP01_PC_1010633_36:5_H_1 1_780.55377	PC	H	780.55377
GP01_PC_1010711_35:1_H_1 1_774.60071	PC	H	774.60071
GP01_PC_1010396_31:0_H_1 2_720.55377	PC	H	720.55377
GP01_PC_1010847_40:7_H_1 1_832.58508	PC	H	832.58508
GP01_PC_1010821_40:6_H_1 1_834.60071	PC	H	834.60071
GP01_PC_1020188_36:2_H_1 1_772.62146	PC	H	772.62146
GP01_PC_1020066_38:5_H_1 1_794.60583	PC	H	794.60583
GP01_PC_1010795_38:3_H_1 1_812.61639	PC	H	812.61639
GP01_PC_1020054_36:4_H_1 1_768.59015	PC	H	768.59015
GP01_PC_1020053_36:3_H_1 1_770.60583	PC	H	770.60583
GP01_PC_1010598_34:3_H_1 1_756.55377	PC	H	756.55377
GP01_PC_1010399_33:0_H_1 1_748.58508	PC	H	748.58508
GP01_PC_1010390_28:0_H_1 1_678.50684	PC	H	678.50684
GP01_PC_1020017_32:2_H_1 1_716.55884	PC	H	716.55884
GP01_PC_1010816_40:5_H_1 1_836.61639	PC	H	836.61639
GP01_PC_IS1010002_31:1_H_1 1_718.53815	PC	H	718.53815
GP01_PC_1011428_37:2_H_1 1_800.61639	PC	H	800.61639
GP01_PC_1020033_34:0_H_1 1_748.62146	PC	H	748.62146
GP01_PC_1020100_38:4_H_1 1_796.62146	PC	H	796.62146
GP01_PC_1020052_36:1_H_1 1_774.63708	PC	H	774.63708
GP01_PC_1020110_40:6_H_1 1_820.62146	PC	H	820.62146
GP01_PC_1030014_40:6_H_1 1_818.60583	PC	H	818.60583
GP01_PC_1010543_33:2_H_1 1_744.55377	PC	H	744.55377
GP01_PC_1020012_30:0_H_1 2_692.55884	PC	H	692.55884
GP01_PC_1020014_30:1_H_1 1_690.54321	PC	H	690.54321
GP01_PC_1020058_36:5_H_2 1_766.57452	PC	H	766.57452
GP01_PC_1030015_38:6_H_1 1_790.57452	PC	H	790.57452
GP01_PC_1020041_34:3_H_1 1_742.57452	PC	H	742.57452
GP01_PC_1010696_38:7_H_1 1_804.55377	PC	H	804.55377
GP01_PC_1011459_37:3_H_1 1_798.60071	PC	H	798.60071
GP01_PC_1010394_29:0_H_1 1_692.52246	PC	H	692.52246
GP01_PC_1020058_36:5_H_1 1_766.57452	PC	H	766.57452
GP01_PC_1011423_35:3_H_1 1_770.5694	PC	H	770.5694
GP01_PC_1010512_36:6_H_1 1_778.53815	PC	H	778.53815
GP01_PC_1010003_37:4_H_1 1_796.58508	PC	H	796.58508
GP01_PC_1030040_36:5_H_1 1_764.55884	PC	H	764.55884
GP01_PC_1020107_40:5_H_1 1_822.63708	PC	H	822.63708
GP01_PC_1010813_40:4_H_1 1_838.63202	PC	H	838.63202
GP01_PC_1011834_42:7_H_1 1_860.61639	PC	H	860.61639
GP02_PE_2010039_36:2_H_1 1_744.55377	PE	H	744.55377
GP02_PE_2020020_38:6_H_1 1_750.54321	PE	H	750.54321
GP02_PE_2010009_34:1_H_1 1_718.53815	PE	H	718.53815
GP02_PE_2020095_36:5_H_1 1_724.52759	PE	H	724.52759
GP02_PE_2010538_38:5_H_1 1_766.53815	PE	H	766.53815
GP02_PE_2010114_38:4_H_1 1_768.55377	PE	H	768.55377
GP02_PE_2030001_38:6_H_1 1_748.52759	PE	H	748.52759
GP02_PE_2010036_36:1_H_1 1_746.5694	PE	H	746.5694
GP02_PE_2010042_34:2_H_1 1_716.52246	PE	H	716.52246
GP02_PE_2020100_34:2_H_1 1_702.54321	PE	H	702.54321
GP02_PE_2010094_40:6_H_1 1_792.55377	PE	H	792.55377
GP02_PE_2020006_38:5_H_1 1_752.55884	PE	H	752.55884
GP02_PE_2030005_40:6_H_1 1_776.55884	PE	H	776.55884
GP02_PE_2030028_36:5_H_1 1_722.5119	PE	H	722.5119
GP02_PE_2010095_38:6_H_1 1_764.52246	PE	H	764.52246
GP02_PE_2010708_40:7_H_1 1_790.53815	PE	H	790.53815
GP02_PE_2010048_36:3_H_1 1_742.53815	PE	H	742.53815
GP02_PE_2030006_40:7_H_1 1_774.54321	PE	H	774.54321
GP02_PE_2020049_36:3_H_1 1_728.55884	PE	H	728.55884
GP02_PE_2010372_32:1_H_1 1_690.50684	PE	H	690.50684
GP02_PE_2010096_36:4_H_1 1_740.52246	PE	H	740.52246
GP02_PE_2020104_40:6_H_1 1_778.57452	PE	H	778.57452
GP02_PE_2010122_38:2_H_1 1_772.58508	PE	H	772.58508
GP02_PE_2010652_40:5_H_1 1_794.5694	PE	H	794.5694
GP02_PE_2020033_36:2_H_1 1_730.57452	PE	H	730.57452
GP02_PE_2010450_36:5_H_1 1_738.50684	PE	H	738.50684
GP02_PE_2010537_38:3_H_1 1_770.5694	PE	H	770.5694
GP02_PE_2020019_36:4_H_1 1_726.54321	PE	H	726.54321
GP02_PE_2020098_34:3_H_1 1_700.52759	PE	H	700.52759
GP02_PE_2010403_35:2_H_1 1_730.53815	PE	H	730.53815
GP02_PE_2010339_34:1_H_1 1_732.55377	PE	H	732.55377
GP02_PE_PPETheo_37:4_H_1 1_738.54321	PE	H	738.54321
GP02_PE_2010331_36:2_H_1 1_758.5694	PE	H	758.5694
GP03_PS_3010025_36:1_H_1 1_790.55927	PS	H	790.55927
GP03_PS_3010030_36:2_H_1 1_788.54358	PS	H	788.54358
GP03_PS_3010007_34:1_H_1 1_762.52795	PS	H	762.52795
GP03_PS_3010040_40:6_H_1 1_836.54358	PS	H	836.54358
GP04_PG_4010002_34:1_NH4_1 1_766.55927	PG	NH4	766.55927
GP04_PG_4010027_32:0_NH4_1 1_740.54358	PG	NH4	740.54358
GP06_PI_6010075_36:2_NH4_1 1_880.59094	PI	NH4	880.59094
GP06_PI_6010074_36:1_NH4_1 1_882.60657	PI	NH4	882.60657
GP06_PI_6010193_38:5_NH4_1 1_902.57532	PI	NH4	902.57532
GP06_PI_6010192_38:3_NH4_1 1_906.60657	PI	NH4	906.60657
GP06_PI_6010001_34:1_NH4_1 1_854.57532	PI	NH4	854.57532
METABOLITES_END
#END