#METABOLOMICS WORKBENCH XiaoyangSu_20250624_115420 DATATRACK_ID:6092 STUDY_ID:ST004097 ANALYSIS_ID:AN006792 PROJECT_ID:PR002513 VERSION 1 CREATED_ON June 24, 2025, 12:02 pm #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 - mediaA549-2E2_ctlGFP_1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-2E2_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaA549-2E2_ctlGFP_2 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-2E2_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaA549-2E2_hODC1_1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-2E2_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaA549-2E2_hODC1_2 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-2E2_hODC1_2 SUBJECT_SAMPLE_FACTORS - mediaA549-4F1_ctlGFP_1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-4F1_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaA549-4F1_ctlGFP_2 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-4F1_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaA549-4F1_hODC1_1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-4F1_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaA549-4F1_hODC1_2 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-4F1_hODC1_2 SUBJECT_SAMPLE_FACTORS - mediaA549-WT_ctlGFP_1 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-WT_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaA549-WT_ctlGFP_2 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaA549-WT_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaA549-WT_hODC1_1 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-WT_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaA549-WT_hODC1_2 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaA549-WT_hODC1_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-3G2_ctlGFP_1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-3G2_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-3G2_ctlGFP_2 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-3G2_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-3G2_hODC1_1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-3G2_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-3G2_hODC1_2 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-3G2_hODC1_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-6C1_ctlGFP_1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-6C1_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-6C1_ctlGFP_2 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-6C1_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-6C1_hODC1_1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-6C1_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-6C1_hODC1_2 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-6C1_hODC1_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-WT_ctlGFP_1 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-WT_ctlGFP_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-WT_ctlGFP_2 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl RAW_FILE_NAME(Raw file name)=mediaH1299-WT_ctlGFP_2 SUBJECT_SAMPLE_FACTORS - mediaH1299-WT_hODC1_1 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-WT_hODC1_1 SUBJECT_SAMPLE_FACTORS - mediaH1299-WT_hODC1_2 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1 RAW_FILE_NAME(Raw file name)=mediaH1299-WT_hODC1_2 #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 For conditioned media metabolite extraction, 5 µl of culture media was mixed SP:SAMPLEPREP_SUMMARY with 500 µl of ice-cold 40:40:20 (methanol:acetonitrile:water) solution with SP:SAMPLEPREP_SUMMARY 0.5% formic acid and neutralized by the addition of 25 μl 15% (m/v) NH4HCO3 SP:SAMPLEPREP_SUMMARY solution #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 mediaA549-2E2_ctlGFP_1 mediaA549-2E2_ctlGFP_2 mediaA549-2E2_hODC1_1 mediaA549-2E2_hODC1_2 mediaA549-4F1_ctlGFP_1 mediaA549-4F1_ctlGFP_2 mediaA549-4F1_hODC1_1 mediaA549-4F1_hODC1_2 mediaA549-WT_ctlGFP_1 mediaA549-WT_ctlGFP_2 mediaA549-WT_hODC1_1 mediaA549-WT_hODC1_2 mediaH1299-3G2_ctlGFP_1 mediaH1299-3G2_ctlGFP_2 mediaH1299-3G2_hODC1_1 mediaH1299-3G2_hODC1_2 mediaH1299-6C1_ctlGFP_1 mediaH1299-6C1_ctlGFP_2 mediaH1299-6C1_hODC1_1 mediaH1299-6C1_hODC1_2 mediaH1299-WT_ctlGFP_1 mediaH1299-WT_ctlGFP_2 mediaH1299-WT_hODC1_1 mediaH1299-WT_hODC1_2 Factors Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:A549 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:Ctrl Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1 Sample source:Media | Cell line:A549 | Genotype:WT | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:SLC45A4-KO | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:Ctrl Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1 Sample source:Media | Cell line:H1299 | Genotype:WT | Overexpression:human-ODC1 4-Aminobutyrate (GABA) _C12 PARENT 116125.04 169170.11 140613.02 141479.06 140702.30 265113.44 140751.52 150034.55 245554.36 169307.42 174615.14 152922.77 69086.84 93150.72 112894.32 122802.28 83332.66 95703.03 98789.74 135977.25 135210.92 164598.75 103232.91 106619.44 4-Aminobutyrate (GABA) _C13-label-4 11043.02 27669.16 47342.12 49106.15 22945.12 54578.95 42729.07 69831.71 60869.45 29484.04 68858.09 73117.34 9143.16 17924.06 35315.06 27009.51 8906.49 9161.68 19215.67 33390.51 18857.9 32026.73 28645 20961.55 4-Aminobutyrate (GABA) _D2-label-4 2797.76 5743.86 22731.19 25160.47 3752.47 0.00 24664.37 40681.93 11547.06 10308.67 63848.11 49702.31 0 0 17087.84 12049.17 0 0 9914.52 11549.95 1270.63 0 16878.4 13848.12 4-Aminobutyrate (GABA) _D2-label-6 11359.50 12361.18 67518.87 62470.23 11093.16 9214.50 58301.64 88260.77 49669.56 35006.36 147009.44 106616.62 2233.24 2475.72 15909.76 11691.78 1552.1 0 10402.69 8759.72 13255.5 8520.24 22350.97 27992.64 Acetylputrescine _C12 PARENT 179678.19 223727.00 198691.27 159965.23 209879.30 185331.98 140773.12 216915.56 165151.03 183944.83 227146.30 176378.45 181329.33 180848.33 226055.67 217944.08 210810.12 224906.95 184249.75 219745.8 201808.06 168545.59 265337.59 206679.14 Acetylputrescine _C13-label-4 1164.32 0.00 39375.05 45996.58 1216.10 0.00 66529.91 106391.50 2340.73 2395.65 53609.05 54238.22 1709.72 3172.85 40581.6 33832.55 1805.75 1558.19 28771.73 23198.04 0 0 18402.72 15456.11 Acetylputrescine _D2-label-5 0.00 0.00 61143.00 55186.05 0.00 0.00 103938.90 167441.77 2254.40 1559.72 98768.56 69331.81 1698.17 0 103939 84754.6 0 0 52198.37 51073.73 0 0 26173.66 26951.6 Acetylputrescine _D2-label-6 13870.11 15241.09 165590.95 145849.89 13216.56 15725.09 194184.42 312827.75 20666.21 23655.87 146623.55 120141.23 11457.79 14058.05 85219.72 75487.12 7322.87 9252.37 57519.68 50132.27 5814.31 2848.03 36386.33 26667.69 Arginine _C12 PARENT 3173640.75 3921438.25 3349607.00 3196421.75 3150334.00 3520288.75 2738931.75 5045868.50 3572239.00 3890196.25 3793760.25 3963509.75 3033658.75 2706699.25 3583515.25 3493771.75 3519176.25 3510986.75 3899145.75 3187358.75 3757449.25 2292201 3354839.25 3279140.25 Arginine _C13-label-5 1413742.50 1501416.38 1302806.38 1370981.62 1199439.25 1463879.62 1453785.88 2284975.75 1335639.12 1729467.62 1169691.50 1903041.00 1045971.31 996238.19 1327032.88 1315606 1402203.12 1194847.12 1470601.12 1164954.38 1411190.62 907244.75 1296333.38 1230126.38 Arginine _C13-label-6 32975320.00 33615780.00 30144504.00 31090440.00 29335184.00 34138864.00 32695166.00 51148052.00 30005200.00 37011388.00 26644858.00 41725308.00 24496302 23336936 29394950 29787776 32143568 28374864 34304404 26167402 32618126 20935236 29604160 28649896 Glutamate_C12 PARENT 18629742.00 21132802.00 17480918.00 15584144.00 15963239.00 18462298.00 16066411.00 22972074.00 18452870.00 20118838.00 16746296.00 18797102.00 9244595 8993669 10462432 10248984 9766149 9187259 9308118 8824056 9548655 6792323.5 7878006.5 7870152.5 Ornithine _C12 PARENT 133002.50 147030.08 134723.67 134385.25 124067.51 137995.17 120245.35 144842.86 136085.78 146383.12 128586.94 143249.19 112803.48 102949.35 115721.34 112381.53 114469.19 116265.28 127447.41 120499.41 152758.11 114921.23 110288.65 122268.68 Ornithine _C13-label-5 523270.62 499857.34 411079.12 468385.28 402237.16 501506.03 502923.50 807315.44 477242.97 655899.06 375562.53 680857.44 428405.28 431948.84 495687.41 478568.84 534763.69 468664.75 549314.81 426032.47 523172.25 339501.22 456615.41 424466.75 Ornithine _D2-label-6 1596829.00 1542443.62 1269293.12 1340194.38 1312413.88 1651028.62 1499916.12 2066370.88 1569881.62 2008684.38 1194239.38 1688760.62 1223525.62 1275521.38 1342673.62 1359601.12 1517267.88 1228121.12 1486536.12 1185786.25 1485842.62 1002492.19 1260377.25 1247265.88 Putrescine _C12 PARENT 4727.58 6272.62 6422.71 12045.83 2628.18 5054.78 9023.40 13596.65 7794.11 7047.01 9073.32 9482.17 5356.56 4578.34 6705.52 10745.19 3123.89 3733.29 2798.38 4774.62 8905.95 7131.59 9658.29 8007.11 Putrescine _C13-label-4 0.00 1417.54 17911.74 12189.16 0.00 1090.63 16539.94 32710.01 0.00 1266.06 26933.26 18445.85 1679.44 1201.64 12269.95 5820.91 1469.96 1330.9 7604.02 8758.07 2258.34 1939.36 25841.82 14446.54 Putrescine _D2-label-5 0.00 0.00 21922.12 17110.54 0.00 1283.43 27571.26 58876.82 1448.16 3067.24 51599.25 30210.04 3751.99 2243.91 21034.08 13988.76 2047.52 1504.47 12788.66 13143.95 5180.37 4759.53 50438.39 30279.28 Putrescine _D2-label-6 1402.13 2084.43 42713.50 36724.21 1642.62 1899.23 45016.81 87656.35 5679.15 3536.14 83942.04 55273.69 4182.58 1879.48 18800.73 11730.78 2126 1828.98 14072.33 14586.92 6572.53 5641.6 34130 25183.78 MS_METABOLITE_DATA_END #METABOLITES METABOLITES_START metabolite_name medMz medRt 4-Aminobutyrate (GABA) _C12 PARENT 104.071037 7.449 4-Aminobutyrate (GABA) _C13-label-4 108.084373 7.459 4-Aminobutyrate (GABA) _D2-label-4 108.096107 7.482 4-Aminobutyrate (GABA) _D2-label-6 110.108620 7.489 Acetylputrescine _C12 PARENT 131.117996 5.928 Acetylputrescine _C13-label-4 135.131409 5.508 Acetylputrescine _D2-label-5 136.149353 5.524 Acetylputrescine _D2-label-6 137.155640 5.519 Arginine _C12 PARENT 175.119095 10.798 Arginine _C13-label-5 180.135483 10.940 Arginine _C13-label-6 181.139053 10.791 Glutamate_C12 PARENT 148.060486 8.767 Ornithine _C12 PARENT 133.097122 11.438 Ornithine _C13-label-5 138.114029 11.294 Ornithine _D2-label-6 139.134827 11.293 Putrescine _C12 PARENT 89.107841 17.036 Putrescine _C13-label-4 93.121246 16.960 Putrescine _D2-label-5 94.139236 17.071 Putrescine _D2-label-6 95.145500 17.089 METABOLITES_END #END