#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 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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