#METABOLOMICS WORKBENCH XiaoyangSu_20250624_112953 DATATRACK_ID:6091 STUDY_ID:ST004094 ANALYSIS_ID:AN006787 PROJECT_ID:PR002513
VERSION             	1
CREATED_ON             	June 24, 2025, 11:40 am
#PROJECT
PR:PROJECT_TITLE                 	SLC45A4 encodes a peroxisomal putrescine transporter that promotes GABA de novo
PR:PROJECT_TITLE                 	synthesis
PR:PROJECT_TYPE                  	Cellular polar metabolomics
PR:PROJECT_SUMMARY               	Solute carriers (SLC) are membrane proteins that facilitate the transportation
PR:PROJECT_SUMMARY               	of ions and metabolites across either the plasma membrane or the membrane of
PR:PROJECT_SUMMARY               	intracellular organelles. With more than 450 human genes annotated as SLCs, many
PR:PROJECT_SUMMARY               	of them are still orphan transporters without known biochemical functions. We
PR:PROJECT_SUMMARY               	developed a metabolomic-transcriptomic association analysis, and we found that
PR:PROJECT_SUMMARY               	the expression of SLC45A4 has a strong positive correlation with the cellular
PR:PROJECT_SUMMARY               	level of γ-aminobutyric acid (GABA). Using mass spectrometry and the stable
PR:PROJECT_SUMMARY               	isotope tracing approach, we demonstrated that SLC45A4 promotes GABA de novo
PR:PROJECT_SUMMARY               	synthesis through the Arginine/Ornithine/Putrescine (AOP) pathway. SLC45A4
PR:PROJECT_SUMMARY               	functions as a putrescine transporter localized to the peroxisome membrane to
PR:PROJECT_SUMMARY               	facilitate GABA production. Taken together, our results revealed a new
PR:PROJECT_SUMMARY               	biochemical mechanism where SLC45A4 controls GABA production.
PR:INSTITUTE                     	Rutgers University
PR:DEPARTMENT                    	Department of Medicine
PR:LAST_NAME                     	Su
PR:FIRST_NAME                    	Xiaoyang
PR:ADDRESS                       	7118 Clinical Academic Building
PR:EMAIL                         	xs137@rwjms.rutgers.edu
PR:PHONE                         	7322355447
PR:FUNDING_SOURCE                	R01 GM149664
#STUDY
ST:STUDY_TITLE                   	SLC45A4 encodes a peroxisomal putrescine transporter that promotes GABA de novo
ST:STUDY_TITLE                   	synthesis
ST:STUDY_SUMMARY                 	We found that the expression of SLC45A4 has a strong positive correlation with
ST:STUDY_SUMMARY                 	the cellular level of γ-aminobutyric acid (GABA). Using mass spectrometry and
ST:STUDY_SUMMARY                 	the stable isotope tracing approach, we demonstrated that SLC45A4 promotes GABA
ST:STUDY_SUMMARY                 	de novo synthesis through the Arginine/Ornithine/Putrescine (AOP) pathway.
ST:STUDY_SUMMARY                 	SLC45A4 functions as a putrescine transporter localized to the peroxisome
ST:STUDY_SUMMARY                 	membrane to facilitate GABA production. Taken together, our results revealed a
ST:STUDY_SUMMARY                 	new biochemical mechanism where SLC45A4 controls GABA production. Overexpression
ST:STUDY_SUMMARY                 	of the human ornithine decarboxylase (hODC1) significantly increased the level
ST:STUDY_SUMMARY                 	of GABA in both SLC45A4 WT and KO cells. However, the ODC1 overexpression did
ST:STUDY_SUMMARY                 	not fully rescue the deficiency in GABA production in SLC45A4 KO cells,
ST:STUDY_SUMMARY                 	suggesting SLC45A4 is required for efficient putrescine oxidation.
ST:INSTITUTE                     	Rutgers University
ST:DEPARTMENT                    	Department of Medicine
ST:LAST_NAME                     	Su
ST:FIRST_NAME                    	Xiaoyang
ST:ADDRESS                       	7118 Clinical Academic Building
ST:EMAIL                         	xs137@rwjms.rutgers.edu
ST:PHONE                         	17322355447
#SUBJECT
SU:SUBJECT_TYPE                  	Cultured cells
SU:SUBJECT_SPECIES               	Homo sapiens
SU:TAXONOMY_ID                   	9606
SU:CELL_STRAIN_DETAILS           	A549, H1299
#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           	-	A549-2E2_ctlGFP_1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-2E2_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	A549-2E2_ctlGFP_2	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-2E2_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	A549-2E2_ctlGFP_3	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-2E2_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	A549-2E2_hODC1_1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-2E2_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	A549-2E2_hODC1_2	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-2E2_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	A549-2E2_hODC1_3	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-2E2_hODC1_3
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_ctlGFP_1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-4F1_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_ctlGFP_2	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-4F1_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_ctlGFP_3	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-4F1_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_hODC1_1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-4F1_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_hODC1_2	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-4F1_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	A549-4F1_hODC1_3	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-4F1_hODC1_3
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_ctlGFP_1	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-WT_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_ctlGFP_2	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-WT_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_ctlGFP_3	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=A549-WT_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_hODC1_1	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-WT_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_hODC1_2	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-WT_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	A549-WT_hODC1_3	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=A549-WT_hODC1_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_ctlGFP_1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-3G2_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_ctlGFP_2	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-3G2_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_ctlGFP_3	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-3G2_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_hODC1_1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-3G2_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_hODC1_2	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-3G2_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-3G2_hODC1_3	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-3G2_hODC1_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_ctlGFP_1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-6C1_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_ctlGFP_2	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-6C1_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_ctlGFP_3	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-6C1_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_hODC1_1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-6C1_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_hODC1_2	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-6C1_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-6C1_hODC1_3	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-6C1_hODC1_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_ctlGFP_1	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-WT_ctlGFP_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_ctlGFP_2	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-WT_ctlGFP_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_ctlGFP_3	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	RAW_FILE_NAME(Raw file name)=H1299-WT_ctlGFP_3
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_hODC1_1	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-WT_hODC1_1
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_hODC1_2	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-WT_hODC1_2
SUBJECT_SAMPLE_FACTORS           	-	H1299-WT_hODC1_3	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1	RAW_FILE_NAME(Raw file name)=H1299-WT_hODC1_3
#COLLECTION
CO:COLLECTION_SUMMARY            	0.5×10^6 cells in the culture were washed twice with PBS and extracted with 0.5
CO:COLLECTION_SUMMARY            	ml ice-cold 40:40:20 (methanol:acetonitrile:water) solution with 0.5% formic
CO:COLLECTION_SUMMARY            	acid. The cells were scraped off the plate followed by incubation on ice for 10
CO:COLLECTION_SUMMARY            	min, and neutralized by the addition of 25 μl 15% (m/v) NH4HCO3 solution. The
CO:COLLECTION_SUMMARY            	extracts were transferred to a 1.5 ml tube. For conditioned media metabolite
CO:COLLECTION_SUMMARY            	extraction, 5 µl of culture media was mixed with 500 µl of ice-cold 40:40:20
CO:COLLECTION_SUMMARY            	(methanol:acetonitrile:water) solution with 0.5% formic acid and neutralized by
CO:COLLECTION_SUMMARY            	the addition of 25 μl 15% (m/v) NH4HCO3 solution. The whole cell or media
CO:COLLECTION_SUMMARY            	extracts were then centrifuged at 4°C and 16,000 × g for 10 min and
CO:COLLECTION_SUMMARY            	transferred to a clean tube and stored at -80°C until analysis.
CO:SAMPLE_TYPE                   	Cultured cells
#TREATMENT
TR:TREATMENT_SUMMARY             	For transient overexpression of ODC1, cells were seeded in new 12-well plates at
TR:TREATMENT_SUMMARY             	the density of 2×105 / ml. When the cells reached about 70% confluence, cells
TR:TREATMENT_SUMMARY             	were transfected with Lipofectamine 3000 according to manufacturer’s
TR:TREATMENT_SUMMARY             	instructions (Invitrogen, L3000015). 1 μg expression vector plasmid DNA was
TR:TREATMENT_SUMMARY             	first mixed with 2 μl P3000 reagent in 50 μl Opti-MEM reduced serum medium
TR:TREATMENT_SUMMARY             	(Gibco, 31985070), then mixed with 3 μl Lipofectamine 3000 in another 50 μl
TR:TREATMENT_SUMMARY             	Opti-MEM. The mixture was incubated at room temperature for 15 min and added
TR:TREATMENT_SUMMARY             	directly to the cell culture. 24h later, the media were replaced with the one
TR:TREATMENT_SUMMARY             	containing stable isotope tracers if necessary.
#SAMPLEPREP
SP:SAMPLEPREP_SUMMARY            	The whole cell extracts were then centrifuged at 4°C and 16,000 × g for 10 min
SP:SAMPLEPREP_SUMMARY            	and transferred to a clean tube and stored at -80°C until analysis.
#CHROMATOGRAPHY
CH:CHROMATOGRAPHY_TYPE           	HILIC
CH:INSTRUMENT_NAME               	Thermo Vanquish
CH:COLUMN_NAME                   	Waters XBridge BEH Amide (150 mm × 2.1 mm, 2.5um)
CH:SOLVENT_A                     	95%:5% H2O:acetonitrile with 20 mM acetic acid, 40 mM ammonium hydroxide, pH 9.4
CH:SOLVENT_B                     	0%:80% H2O:acetonitrile with 20 mM acetic acid, 40 mM ammonium hydroxide, pH 9.4
CH:FLOW_GRADIENT                 	0 min, 100% B; 3 min, 100% B; 3.2 min, 90% B; 6.2 min, 90% B; 6.5 min, 80% B;
CH:FLOW_GRADIENT                 	10.5 min, 80% B; 10.7 min, 70% B; 13.5 min, 70% B; 13.7 min, 45% B; 16 min, 45%
CH:FLOW_GRADIENT                 	B; 16.5 min, 100% B; and 22 min, 100% B
CH:FLOW_RATE                     	0.3ml/min
CH:COLUMN_TEMPERATURE            	25
#ANALYSIS
AN:ANALYSIS_TYPE                 	MS
AN:LABORATORY_NAME               	Metabolomics Shared Resource of Rutgers Cancer Institute
AN:DETECTOR_TYPE                 	Orbitrap
AN:DATA_FORMAT                   	mzXML
#MS
MS:INSTRUMENT_NAME               	Thermo Q Exactive Plus Orbitrap
MS:INSTRUMENT_TYPE               	Orbitrap
MS:MS_TYPE                       	ESI
MS:ION_MODE                      	POSITIVE
MS:MS_COMMENTS                   	The mass spectrometry analysis was performed on Thermo Q Exactive PLUS
MS:MS_COMMENTS                   	instrument with a HESI source, which was set to a spray voltage of −2.7 kV in
MS:MS_COMMENTS                   	negative mode and 3.5 kV in positive mode. The sheath, auxiliary, and sweep gas
MS:MS_COMMENTS                   	flow rates were 40, 10, and 2 (arbitrary units), respectively. The capillary
MS:MS_COMMENTS                   	temperature was set to 300°C, and the aux gas heater was set to 360°C. The
MS:MS_COMMENTS                   	S-lens RF level was 45. The m/z scan range was set to 72 to 1000 m/z in either
MS:MS_COMMENTS                   	positive or negative ionization mode. The AGC target was set to 3e6, and the
MS:MS_COMMENTS                   	maximum IT was 200 ms. Metabolite data were obtained using the El-MAVEN software
MS:MS_COMMENTS                   	package (mass accuracy window: 5 ppm). All isotope natural abundance corrections
MS:MS_COMMENTS                   	were done using AccuCor (single-isotope labeling) or AccuCor2 (dual-isotope
MS:MS_COMMENTS                   	labeling).
MS:CAPILLARY_TEMPERATURE         	300C
MS:ION_SPRAY_VOLTAGE             	3.5kV
#MS_METABOLITE_DATA
MS_METABOLITE_DATA:UNITS	Ion counts
MS_METABOLITE_DATA_START
Samples	A549-2E2_ctlGFP_1	A549-2E2_ctlGFP_2	A549-2E2_ctlGFP_3	A549-2E2_hODC1_1	A549-2E2_hODC1_2	A549-2E2_hODC1_3	A549-4F1_ctlGFP_1	A549-4F1_ctlGFP_2	A549-4F1_ctlGFP_3	A549-4F1_hODC1_1	A549-4F1_hODC1_2	A549-4F1_hODC1_3	A549-WT_ctlGFP_1	A549-WT_ctlGFP_2	A549-WT_ctlGFP_3	A549-WT_hODC1_1	A549-WT_hODC1_2	A549-WT_hODC1_3	H1299-3G2_ctlGFP_1	H1299-3G2_ctlGFP_2	H1299-3G2_ctlGFP_3	H1299-3G2_hODC1_1	H1299-3G2_hODC1_2	H1299-3G2_hODC1_3	H1299-6C1_ctlGFP_1	H1299-6C1_ctlGFP_2	H1299-6C1_ctlGFP_3	H1299-6C1_hODC1_1	H1299-6C1_hODC1_2	H1299-6C1_hODC1_3	H1299-WT_ctlGFP_1	H1299-WT_ctlGFP_2	H1299-WT_ctlGFP_3	H1299-WT_hODC1_1	H1299-WT_hODC1_2	H1299-WT_hODC1_3
Factors	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	Sample source:Lysate | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1	Sample source:Lysate | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1
4-Aminobutyrate (GABA)_C12 PARENT	1229771.62	1148768.88	946383	1525572	1467030.62	1390987.12	1117674.88	1003722.06	740807.5	1432142	1462032.38	1609424.62	1356450	1280858.12	1195578.88	2210969.25	2656526.25	2276523	756384.19	845779	864340.19	1720331	1574438.62	1718649.5	766394.19	836913.75	757774.81	1660324.62	1526282.38	1838469.5	1239105.25	1554486.12	1380882.62	2350943.25	2354621.5	2228809.25
4-Aminobutyrate (GABA)_C13-label-1	54107.39	51336.12	42010.39	63598.96	70252.09	64920.83	51819.78	44603.1	30330.38	67752.96	66450.66	68300.91	60356.57	52073.02	53608.04	97280.66	113354.21	99937.98	36436.96	37409.12	39252.32	80122.99	63780.21	88383.12	37800.01	35407.26	37261.46	61004.24	67807.38	86399.54	64221.59	69668.8	65911.15	102100.96	105217.54	93931.81
4-Aminobutyrate (GABA)_C13-label-4	112669.3	77354.75	68384.18	2724207.5	2919679	3119651.25	91198.62	59263.86	42569.08	2921786.75	3107309.25	3574168.75	423328.97	393598.66	371659	5040346	6821365.5	6390614	72706.75	69699.85	78142.23	2848743.75	2500352.75	2549300.75	69191.41	71736.09	56891.02	2211395	2090550	2305512	274354.72	366520.16	339910.97	4026524	3972876	4186180.75
4-Aminobutyrate (GABA)_D2-label-4	86093.62	101368.95	77176.35	2329232.25	2225869.5	2019351	90040.43	80756.52	65118.81	2546423.75	2560815.25	2590526.25	484622.66	472644.03	456444.34	4862882	5173617.5	4727626	42811.5	34733.72	51261.97	2578982.5	2212708.75	2215628.75	41241.2	39208.52	32392.47	1689433	1578355.5	1769405.62	204987.89	263978.66	241710.86	3404660.75	3432825.75	3587055.25
4-Aminobutyrate (GABA)_D2-label-5	77169.7	56037.69	57292.33	2983700	2820482.25	2516713.5	69430.41	54277.52	53380.54	3484889.25	3598406.25	3483856.25	385145.25	381689.09	372239.91	6371203.5	6727398.5	6200189.5	14293.44	23645.31	24291.8	3516617	2926730.75	3007298	20508.3	28263.85	29665.17	2377014	2245505.75	2351227.25	264091.16	332720.84	333262.69	5438261.5	5276280	5537654
4-Aminobutyrate (GABA)_D2-label-6	352832.62	321815.41	284031.53	5811985.5	5601558	5115223.5	300971.78	260669.61	223523.48	5397293.5	5309348	5415584.5	1616697.62	1557308.38	1591724	9179393	11202260	9846895	172749.14	166443.42	157330.67	2285733	1963005.38	2105037.25	135567.19	162016.39	149385.69	1799910.88	1728523.88	1909885.5	844145.31	1117715.62	998786.31	4693652.5	4681613.5	4751138
Acetylputrescine_C12 PARENT	223553.58	234075.88	197166.75	723362.81	648809.31	609270.31	251976.25	223890.3	208166.58	617486.25	716341.94	824960.06	73866.71	54031.64	50901.96	410657.84	360577.28	355576.72	185156	160200.67	188543	1243116.12	821342.81	1087939.5	155213.89	144340.12	128363.57	615993.31	660300.56	773384.81	13555.72	15573.79	14930.09	322130.22	272075.22	251897.55
Acetylputrescine_C13-label-1	17039.85	15336.33	18200.62	49280.51	44973.19	41598.29	22669.6	20276.42	13976.51	42132.31	49589.39	59097.45	7540.59	8956.09	7545.03	34414.1	24279.95	25938.57	18277.4	16015.18	17228.23	82755.16	55868.96	74885.41	15640.67	13300.19	11636.5	53249.98	45577.03	55086.75	2122.15	4375.46	2380.97	24931.22	23031.24	23490.27
Acetylputrescine_C13-label-3	0	0	0	43681.8	39034.89	42727.91	0	0	0	37171.43	50324.89	59249.92	0	0	0	38322.6	41860.19	45189.55	2336.15	2838.62	1729.8	102058.41	73307.85	83540.09	2157.27	0	1403.68	49089.34	51560.33	46489.91	0	0	0	42938.65	37880.79	40750.56
Acetylputrescine_C13-label-4	17214.98	17451.26	11574.4	1640960.38	1531282.5	1661306	11776.84	10435.54	6131.69	1500810.5	1953242.5	2211058.75	31033.9	28896.9	29913.35	1466531.5	1668829	1695419.5	106941.29	118803.48	127503.97	3949908	2805548	3311288.75	62493.63	63358.2	61716.79	1835360.88	1889616.38	2081900.62	32585.6	40121.46	37695.38	1690972	1518136.12	1561122
Acetylputrescine_D2-label-4	0	0	0	223925.8	198479.48	158166.64	0	0	0	278189.44	321405.81	324588.38	0	0	0	250420.89	205619.95	222929.7	3604.96	3372.63	1726.53	709292.44	530357.5	582252.69	0	0	0	290062.12	281755.41	317679.38	0	0	0	281412.41	231442.36	269598.72
Acetylputrescine_D2-label-5	14435.36	10489.7	9806.11	2523444.75	2313580.25	1946066.38	10123.05	5978.45	9079.16	3111154	3686456.75	3657692.75	19009.6	17083.18	17452.2	3052370.75	2565026	2700256	55894.89	58337.39	60289.55	8747353	6260741.5	6905364	32056.24	33454.21	30549.5	3582403	3550999.25	3710458	18176.78	20123.7	18121.33	3419666	3149960.25	3308158
Acetylputrescine_D2-label-6	89059.34	80969.26	75381.37	4000344.75	3710351	3219607.25	79300.22	70096.66	57656.38	3507075.25	3681497.25	3878856	149296.33	124672.16	137718.75	2524305.25	2425639.75	2381052.25	443584.84	448641.88	506243.38	5880960	4343746.5	5045168	236923.3	247674.2	228215.36	3306756.25	3225264	3534080.75	122407.65	155706.95	149000.94	2446962.75	2360803.25	2463288.75
Arginine_C12 PARENT	543564.19	550536.75	467075.09	536618.31	529092.94	499905.72	412562.66	386779.91	313883.78	362226.72	427412.88	471453.78	370610.78	308714.56	357058.62	315675.5	247390.12	260813.98	662686.19	672097	682484.44	954414.81	595993.94	863614.19	531736.94	661636.25	611600.62	656053	728146.5	994975.94	316483.12	293760.72	226432.98	344042.97	319583.62	278364.47
Arginine_C13-label-5	175773.25	173653.06	149433.27	160010.08	178804.08	197186.56	134804.55	128241.78	103364.23	154046.78	160643.88	176224.33	98596.43	92818.44	103387.96	78586.22	69495.68	78623.34	196633.19	207891.67	204172.2	290825.91	175932.58	244028.08	173828.06	191039.19	181526.33	201728.8	198315.2	273637.25	81865.2	86446.75	76458.34	100619.32	92403.66	87262.51
Arginine_C13-label-6	4472482	4093720.75	3678498	4020171.25	4303808.5	4509362.5	3411529.25	3166514.75	2568632.5	3632522.25	3819690	4226044.5	2380182.25	2255546.25	2550353.25	1821020.38	1852047.88	1914451.38	4641049.5	4840070.5	4604456.5	6568037.5	4397106.5	6126051.5	4139975.75	4776024.5	4422534.5	4779653.5	4905994	6503628.5	2033784.88	2087942.88	1758916.88	2482084.75	2297475	2279825.25
Creatine_C12 PARENT	2759096.75	2108423.25	1522606.38	2710044.75	2264967.75	2165634.25	2321821	1754520.88	637528	2594815.25	2185647.25	2505370.25	5035804.5	4766103.5	4527564.5	5760938	7415107.5	5908017.5	8987642	10397352	11295635	12718232	11898883	15180259	12503496	14945683	11964971	17802944	17773552	26718698	2659773.75	3280329.25	3041904	5028171.5	5992043.5	5352155.5
Creatine_C13-label-1	1299988	1337689.38	959422.81	1560548.62	1595303.38	1586992	904645.19	747391.69	296946.91	1081526	933395.75	1055752.5	1705913.38	1692896.62	1797757.38	1871552	2262843.25	2109779	1572324.38	1813741	1899683	2576280.25	2292081.75	2798667.25	1627792.88	1835990	1512952.38	2381603.75	2398532.25	3480606	132822.88	182205.89	156599.27	293587.72	356271.53	324653.22
Creatine_C13-label-3	148131.05	131301.92	99346.8	158355.95	177012.08	167898.27	91720.65	73591.29	42323.71	131471.58	100776.51	113242.79	134063.62	135453.42	150627.88	159536.59	228233.88	202626.08	155189.97	195488	191897.14	274463.03	248956.52	296065.53	151910.31	164797.19	129333.25	203557.2	209450.2	291102.88	80844.59	95582.87	100107.41	188270.33	191775.44	210132.73
Creatine_C13-label-4	92415.45	76627.35	63959.98	95418.79	99798.09	102810.48	71279.69	72278.46	35597.69	111606.81	83283.13	85044.48	79571.41	84729.16	89619.78	94480.23	129858.73	111499.65	293274.41	323311.84	326251.25	399535.34	355633.53	421645.34	256215.08	264214.66	257592.27	331742.12	342188.41	469095.34	90548.82	119936.98	110429.71	175923.67	174477.12	183186.58
Glutamate_C12 PARENT	122515800	119029464	106890176	120074440	122908280	115323648	71136936	70969304	59521844	78007880	72990352	81414024	120272256	111658728	109787816	108456768	114657192	112070520	263922672	290838016	273033216	304440512	276473280	329984032	200914768	219890128	193611520	212770560	224809392	261474496	129493192	157488400	136066576	170865360	158460528	163095984
Glutamate_C13-label-1	6958923.5	6884357.5	6212189.5	6978767.5	7003018	6615086.5	4118258	4132496.25	3393405.25	4322214.5	4148624.75	4603725	6946108	6472374.5	6027550.5	6180781.5	6517294.5	6391139.5	15433379	16826480	15472483	17632792	16090341	18934510	11534273	13159533	11229261	12314004	13031009	15240748	7866990.5	9119311	7823648.5	9839444	9227799	9346247
Glutamate_C13-label-2	138311.14	151075.92	119440.71	153784.11	137102.45	110480.23	89781.29	85232.14	67039.68	90185.15	83297.91	88291.04	137315.92	128809.54	142210.48	108320.87	110779.02	108823.12	325949.28	366211.97	336386.09	358842.53	340651.03	378647.34	291029.59	324776.38	294419	291106.78	321033.47	352411.91	153363	175838.95	152068.33	187031.19	161349.78	157683.39
Glutamate_C13-label-3	145859.42	147288.12	144301.06	98407.81	99511.91	102818.44	93985.1	68788.82	78841.18	66423.24	56145.39	73660.18	85318.24	92576.81	104685.18	51811.01	67452	47661.28	320306.97	329835.72	316525.53	274778.22	213184.31	319258.81	408987.34	427259.97	382986.03	329537.41	358148.78	441933.34	139536.83	157474.59	139121.11	111732.9	96742.23	103159.9
Glutamate_C13-label-4	17676.83	10583.25	25364.99	9146.18	17891.94	9758.5	20184.44	17411	10386.2	9937.68	5600.81	6174.38	16382.85	24892.12	18487.43	8381.35	7631.17	9009.72	595831.31	629002.75	633182	586304.44	489141.34	666624.06	793921.19	800369.56	690442	659628.44	712728.81	847602.19	335544.12	399638.47	320804.84	249527.95	228706.58	263039.25
Ornithine_C12 PARENT	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	0	46226.77	48437.62	47574.84	40933.14	43503.39	49231.32	47114.39	47545.84	44187.81	48561.87	45854.17	45848.09	48000.66	42924.27	60715.67	55842.71	46829.62	48243.32
Ornithine_C13-label-5	63432.23	60743.28	48133.61	37660.46	39553.64	51097.89	43915.61	45674.72	31878.48	30974.99	32782.27	35894.54	41690.7	31848.02	37176.11	15133.38	23813.31	12517.04	102382.1	97235.26	97927.34	97745.9	72512.87	107154.09	84445.01	88218.13	80556.07	79617.23	80477.15	113535.24	34286.53	42721.53	33525.14	32968.83	34483.12	36282.69
Ornithine_D2-label-5	40946.3	39379.97	32278.02	19560.92	21344.88	20556.72	30327.86	24798.42	18724.17	23925.03	16426.08	14716.17	23821.11	19248.21	23181.33	8417.05	10061.17	9925.71	38018.18	43379.45	41334.49	33110.92	24765.92	31973.63	33906.95	39178.75	29858.5	25190.5	31207.56	41533.4	16714.7	19354.42	14716.14	12495.4	11587.63	12761.49
Ornithine_D2-label-6	249776.33	237858.05	195026.05	145616.38	149217.83	146623.92	181801.7	183334.7	128883.38	127809.38	101780.04	102096.57	151081.52	135831.34	150081.56	49896.39	57777.2	51836.16	305082.12	309969.59	312833.09	232204.5	177887.55	246461.02	259549.94	281722.25	250614.81	199265.25	198230.8	277917.97	109434.9	131107.27	105427.34	77033.15	83538.85	76510.02
Putrescine_C12 PARENT	194722.02	233892.27	177169.14	551551	610217.31	606526	232659.38	264887.28	13639.81	624640.31	770024.75	850962.94	52270.67	57674.61	59790.54	319894	228381.98	306055.19	554623	452171.84	538890.06	1640826.5	1295683.38	1550921.38	470640.66	491829.47	584375.25	1081513	1265119.62	1464174.12	43905.74	40093.05	37093.51	482514.25	428473.75	397520.59
Putrescine_C13-label-3	0	0	0	37490.09	41696.05	48725.78	0	0	0	49558.27	61094.02	73834.73	1164.92	0	1221.54	35952.72	31993.48	45719.33	10652.61	10506.62	8771.87	164674.81	130081.98	157470.14	5444.41	3344.29	7582.5	103972.51	111316.26	126704.96	2350.81	1848	3049.01	80628.34	79145.22	75114.93
Putrescine_C13-label-4	19299.87	18322.27	18529.74	1529989.12	1895192.38	2135244.75	12162.26	16575.2	1744.71	1951298.5	2483628.75	2906497.25	30960.25	34976.98	33137.04	1373511.38	1356051.38	1791810.88	407284.66	390702.34	434805.34	6776826.5	5283057.5	6026356.5	241903.55	240950.67	277327	4123316	4588635.5	4885982	92784.96	95043.77	100686.94	3192775.75	3022358.75	3038098
Putrescine_D2-label-4	1315.71	0	0	210344.52	255518.86	232872.67	0	1473.43	0	351436.5	383664.91	428630.62	1258.74	1425.45	1175.54	254604.98	192849.02	237195.95	12067.3	9101.54	11361.73	1084342.12	848884.69	931060.69	6634.1	7487.74	6773.24	611004.88	638331.5	709550.81	1623.38	1977.08	3886.03	515914.5	482792.66	475349.59
Putrescine_D2-label-5	14384.48	17028.32	14729.12	2519448.75	2927842	2715533	15492.8	16201.8	0	4041630	4638266.5	4909259	19967.07	23542.33	24147.57	3007005.25	2264117.5	2986460	215520.58	179165.94	221147.08	13470117	10681580	11689853	120754.03	122575.56	143269.14	7428639.5	7887720.5	8536219	51816.8	51233.28	57088.07	6566636.5	6179334	6231112
Putrescine_D2-label-6	114198.88	108546.5	92925.35	3678679	4301866.5	4256999.5	118579.1	109288.19	1822.86	4518159.5	4394211.5	5016474.5	176372.19	194013.83	187179.25	2411989.75	2038014.88	2452744.25	1734916.62	1547101	1738856.5	8895029	7348700	8591972	987302	946358	1178849	6741849.5	7399301.5	7988512	375975.84	365082.22	386647.03	4555460.5	4287984	4225523.5
MS_METABOLITE_DATA_END
#METABOLITES
METABOLITES_START
metabolite_name	medMz	medRt
4-Aminobutyrate (GABA)_C12 PARENT	104.071091	7.452
4-Aminobutyrate (GABA)_C13-label-1	105.074471	7.485
4-Aminobutyrate (GABA)_C13-label-4	108.08448	7.462
4-Aminobutyrate (GABA)_D2-label-4	108.096191	7.49
4-Aminobutyrate (GABA)_D2-label-5	109.10215	7.527
4-Aminobutyrate (GABA)_D2-label-6	110.108704	7.493
Acetylputrescine_C12 PARENT	131.118149	5.517
Acetylputrescine_C13-label-1	132.121536	5.518
Acetylputrescine_C13-label-3	134.128128	5.501
Acetylputrescine_C13-label-4	135.131531	5.512
Acetylputrescine_D2-label-4	135.143173	5.516
Acetylputrescine_D2-label-5	136.149429	5.522
Acetylputrescine_D2-label-6	137.155701	5.525
Arginine_C12 PARENT	175.119171	10.835
Arginine_C13-label-5	180.13562	10.843
Arginine_C13-label-6	181.139206	10.847
Creatine_C12 PARENT	132.07692	6.603
Creatine_C13-label-1	133.079788	6.604
Creatine_C13-label-3	135.086945	6.608
Creatine_C13-label-4	136.090347	6.758
Glutamate_C12 PARENT	148.060562	8.763
Glutamate_C13-label-1	149.063934	8.761
Glutamate_C13-label-2	150.067245	8.796
Glutamate_C13-label-3	151.070663	8.758
Glutamate_C13-label-4	153.077179	8.802
Ornithine_C12 PARENT	133.097305	10.716
Ornithine_C13-label-5	138.114151	11.337
Ornithine_D2-label-5	138.128525	11.358
Ornithine_D2-label-6	139.134979	11.361
Putrescine_C12 PARENT	89.107925	16.744
Putrescine_C13-label-3	92.117966	16.84
Putrescine_C13-label-4	93.121346	16.815
Putrescine_D2-label-4	93.133049	16.916
Putrescine_D2-label-5	94.139328	16.94
Putrescine_D2-label-6	95.145546	16.966
METABOLITES_END
#END