{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST002137","ANALYSIS_ID":"AN003498","VERSION":"1","CREATED_ON":"April 15, 2022, 8:15 am"},

"PROJECT":{"PROJECT_TITLE":"Targeted Microchip Capillary Electrophoresis-Orbitrap Mass Spectrometry Metabolomics to Monitor Ovarian Cancer Progression.","PROJECT_SUMMARY":"The lack of effective screening strategies for high-grade serous carcinoma (HGSC), a subtype of ovarian cancer (OC) responsible for 80% of OC related deaths, emphasizes the need for new diagnostic markers and a better understanding of disease pathogenesis. Capillary electrophoresis (CE) coupled with high-resolution mass spectrometry (HRMS) offers high selectivity and sensitivity, thereby increasing metabolite coverage and consequently enhancing biomarker discovery. Recent advances in CE-MS include small, chip-based CE systems coupled with nanoelectrospray ionization (nanoESI) to provide rapid, high-resolution analysis of biological specimens. Here, we describe the development of a targeted microchip (µ) CE-HRMS method to analyze 40 target metabolites in serum samples from a triple-mutant (TKO) mouse model of HGSC, with an acquisition time of only 3 min. Extracted ion electropherograms showed sharp, highly resolved peak shapes, even for structural isomers such as leucine and isoleucine. All analytes maintained good linearity with an average R2 of 0.994, while detection limits were in the nM range. Thirty metabolites were detected in mice serum, with recoveries ranging from 78 to 120 %, indicating minimal ionization suppression and good accuracy. We applied the µCE-HRMS method to sequentially-collected serum samples from TKO and TKO-control mice. Time-resolved analysis revealed characteristic temporal trends for amino acids, nucleosides, and amino acids derivatives associated with HGSC progression. Comparison of the µCE-HRMS dataset with non-targeted ultra-high performance liquid chromatography (UHPLC) – MS results revealed identical temporal trends for the 5 metabolites detected on both platforms, indicating the µCE-HRMS method performed satisfactorily in terms of capturing metabolic reprogramming due to HGSC progression, while reducing the total analysis time 3-fold.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Sah","FIRST_NAME":"Samyukta","ADDRESS":"901 Atlantic Dr NW, Atlanta, GA, 30332, USA","EMAIL":"ssah9@gatech.edu","PHONE":"5746780124"},

"STUDY":{"STUDY_TITLE":"Targeted Microchip Capillary Electrophoresis-Orbitrap Mass Spectrometry Metabolomics to Monitor Ovarian Cancer Progression. (Ovarian cancer mouse data)","STUDY_SUMMARY":"The lack of effective screening strategies for high-grade serous carcinoma (HGSC), a subtype of ovarian cancer (OC) responsible for 80% of OC related deaths, emphasizes the need for new diagnostic markers and a better understanding of disease pathogenesis. Capillary electrophoresis (CE) coupled with high-resolution mass spectrometry (HRMS) offers high selectivity and sensitivity, thereby increasing metabolite coverage and consequently enhancing biomarker discovery. Recent advances in CE-MS include small, chip-based CE systems coupled with nanoelectrospray ionization (nanoESI) to provide rapid, high-resolution analysis of biological specimens. Here, we describe the development of a targeted microchip (µ) CE-HRMS method to analyze 40 target metabolites in serum samples from a triple-mutant (TKO) mouse model of HGSC, with an acquisition time of only 3 min. Extracted ion electropherograms showed sharp, highly resolved peak shapes, even for structural isomers such as leucine and isoleucine. All analytes maintained good linearity with an average R2 of 0.994, while detection limits were in the nM range. Thirty metabolites were detected in mice serum, with recoveries ranging from 78 to 120 %, indicating minimal ionization suppression and good accuracy. We applied the µCE-HRMS method to sequentially-collected serum samples from TKO and TKO-control mice. Time-resolved analysis revealed characteristic temporal trends for amino acids, nucleosides, and amino acids derivatives associated with HGSC progression. Comparison of the µCE-HRMS dataset with non-targeted ultra-high performance liquid chromatography (UHPLC) – MS results revealed identical temporal trends for the 5 metabolites detected on both platforms, indicating the µCE-HRMS method performed satisfactorily in terms of capturing metabolic reprogramming due to HGSC progression, while reducing the total analysis time 3-fold.","INSTITUTE":"Georgia Institute of Technology","LAST_NAME":"Sah","FIRST_NAME":"Samyukta","ADDRESS":"901 Atlantic Dr NW, Atlanta, GA, 30332, USA","EMAIL":"ssah9@gatech.edu","PHONE":"5746780124"},

"SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"-",
"Sample ID":"T13_1",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_1 5110","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"T13_2",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465 _2 5110","Age (weeks)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"T13_3",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_3 5110","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"T13_4",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_4 5110","Age (weeks)":"14"}
},
{
"Subject ID":"-",
"Sample ID":"T13_5",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_5 5110","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"T13_6",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_6 5110","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"T13_7",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_7 5110","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"T13_8",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_8 5110","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"T13_9",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8465_9 5110","Age (weeks)":"24"}
},
{
"Subject ID":"-",
"Sample ID":"T11_1",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_1_chip5109","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"T11_2",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_2repeatwith5110","Age (weeks)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"T11_3",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_3_chip5109","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"T11_4",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_4_run2_5110","Age (weeks)":"14"}
},
{
"Subject ID":"-",
"Sample ID":"T11_5",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_5_5510","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"T11_6",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_6_chip5109","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"T11_7",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_7_chip5109","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"T11_8",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_8_chip5109","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"T11_10",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_10_5110","Age (weeks)":"26"}
},
{
"Subject ID":"-",
"Sample ID":"T11_11",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_11_5110","Age (weeks)":"28"}
},
{
"Subject ID":"-",
"Sample ID":"T11_12",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_12_chip5109","Age (weeks)":"30"}
},
{
"Subject ID":"-",
"Sample ID":"T11_13",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_13_chip5109","Age (weeks)":"32"}
},
{
"Subject ID":"-",
"Sample ID":"T11_14",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_14_5110","Age (weeks)":"34"}
},
{
"Subject ID":"-",
"Sample ID":"T11_15",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"8256_15_5110","Age (weeks)":"36"}
},
{
"Subject ID":"-",
"Sample ID":"T15_1",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_1_run_4574","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"T15_3",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_3_run2_4574","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"T15_5",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_5_run_4574","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"T15_6",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_6_run2_4574","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"T15_7",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_7_run2_4574","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"T15_8",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_8_run_4574","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"T15_9",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_9_run_4574","Age (weeks)":"24"}
},
{
"Subject ID":"-",
"Sample ID":"T15_10",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_10_run_4574","Age (weeks)":"26"}
},
{
"Subject ID":"-",
"Sample ID":"T15_11",
"Factors":{"pheotype":"TKO"},
"Additional sample data":{"RAW_FILE_NAME":"TKO8472_11_run_4574","Age (weeks)":"28"}
},
{
"Subject ID":"-",
"Sample ID":"C8_1",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_1_5110","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"C8_2",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_2 5110","Age (weeks)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"C8_3",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_3_repeat_5110","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"C8_4",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_4_5110","Age (weeks)":"14"}
},
{
"Subject ID":"-",
"Sample ID":"C8_5",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_5 5110","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"C8_6",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_6_5110","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"C8_7",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_7_5110","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"C8_8",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_8 5110","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"C8_9",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_9_5110","Age (weeks)":"24"}
},
{
"Subject ID":"-",
"Sample ID":"C8_10",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_10_5110","Age (weeks)":"26"}
},
{
"Subject ID":"-",
"Sample ID":"C8_11",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_11 5110","Age (weeks)":"28"}
},
{
"Subject ID":"-",
"Sample ID":"C8_12",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_12_5ul samplevolume_5110","Age (weeks)":"30"}
},
{
"Subject ID":"-",
"Sample ID":"C8_13",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_13_5110","Age (weeks)":"32"}
},
{
"Subject ID":"-",
"Sample ID":"C8_14",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"8103_14_5110","Age (weeks)":"34"}
},
{
"Subject ID":"-",
"Sample ID":"C10_1",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_1_chip5110","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"C10_2",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_2_chip5110","Age (weeks)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"C10_3",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_3_run2chip5110","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"C10_4",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_4_chip5110","Age (weeks)":"14"}
},
{
"Subject ID":"-",
"Sample ID":"C10_5",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_5_chip5110","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"C10_6",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_6_chip5110","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"C10_7",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_7_chip5110","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"C10_8",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_8_chip5110","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"C10_9",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_9_chip5110","Age (weeks)":"24"}
},
{
"Subject ID":"-",
"Sample ID":"C10_10",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_10_chip5110","Age (weeks)":"26"}
},
{
"Subject ID":"-",
"Sample ID":"C10_11",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_11_chip5110","Age (weeks)":"28"}
},
{
"Subject ID":"-",
"Sample ID":"C10_12",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl_8284_12_chip5110","Age (weeks)":"30"}
},
{
"Subject ID":"-",
"Sample ID":"C13_1",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_1_4574","Age (weeks)":"8"}
},
{
"Subject ID":"-",
"Sample ID":"C13_2",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_2_4574","Age (weeks)":"10"}
},
{
"Subject ID":"-",
"Sample ID":"C13_3",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_3_4574","Age (weeks)":"12"}
},
{
"Subject ID":"-",
"Sample ID":"C13_4",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_4_4574","Age (weeks)":"14"}
},
{
"Subject ID":"-",
"Sample ID":"C13_5",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_5_4574","Age (weeks)":"16"}
},
{
"Subject ID":"-",
"Sample ID":"C13_6",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_6_4574","Age (weeks)":"18"}
},
{
"Subject ID":"-",
"Sample ID":"C13_7",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_7_4574","Age (weeks)":"20"}
},
{
"Subject ID":"-",
"Sample ID":"C13_8",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_8_4574","Age (weeks)":"22"}
},
{
"Subject ID":"-",
"Sample ID":"C13_9",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_9_4574","Age (weeks)":"24"}
},
{
"Subject ID":"-",
"Sample ID":"C13_10",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_10_4574","Age (weeks)":"26"}
},
{
"Subject ID":"-",
"Sample ID":"C13_11",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_11_4574","Age (weeks)":"28"}
},
{
"Subject ID":"-",
"Sample ID":"C13_12",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_12_4574","Age (weeks)":"30"}
},
{
"Subject ID":"-",
"Sample ID":"C13_13",
"Factors":{"pheotype":"Control"},
"Additional sample data":{"RAW_FILE_NAME":"ctrl8512_13_4574","Age (weeks)":"32"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"TKO p53LSL R172H/+ Dicer1flox/flox Ptenflox/flox Amhr2cre/+ mice were generated by mating p53LSL-R172H/+Dicer1flox/floxPtenflox/flox female mice with Dicer1flox/floxPtenflox/floxAmhr2cre/+ male mice. For TKO controls, p53LSL-R172H/+Dicer1flox/floxPtenflox/flox were generated. TKO control mice carry the same genetic makeup as TKO mice but do not develop HGSC. A sequential serum collection protocol was conducted to collect samples from TKO and TKO controls every two weeks starting at 8 weeks of age until a humane end point for sacrifice or development of ascites. TKO mice were sacrificed at Indiana University School of Medicine in accordance with animal protocol (21124) approved by the IACUC.","SAMPLE_TYPE":"Blood (serum)"},

"TREATMENT":{"TREATMENT_SUMMARY":"TKO p53LSL R172H/+ Dicer1flox/flox Ptenflox/flox Amhr2cre/+ mice were generated by mating p53LSL-R172H/+Dicer1flox/floxPtenflox/flox female mice with Dicer1flox/floxPtenflox/floxAmhr2cre/+ male mice. For TKO controls, p53LSL-R172H/+Dicer1flox/floxPtenflox/flox were generated. TKO control mice carry the same genetic makeup as TKO mice but do not develop HGSC. A sequential serum collection protocol was conducted to collect samples from TKO and TKO controls every two weeks starting at 8 weeks of age until a humane end point for sacrifice or development of ascites. TKO mice were sacrificed at Indiana University School of Medicine in accordance with animal protocol (21124) approved by the IACUC."},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"An extraction solvent consisting of a mixture of isotopically labeled internal standards including 808 µM 13C6 arginine and 212 µM 13C methionine D3 was added to methanol in a 1:60 ratio and stored at 4 °C until further use. Serum samples were thawed on ice, followed by protein precipitation in a 10 µl serum aliquot with extraction solvent in a 1:3 ratio. Samples were vortexed for 30 s and centrifuged at 13,000 rpm for 7 min. To enhance CE peak shape, the resulting supernatant was diluted in a 1:4 ratio with the sample diluent containing 133 mM ammonium acetate, 0.1% formic acid and 1 µM 13C phenylalanine."},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"CE","INSTRUMENT_NAME":"ZipChip (908 Devices)","COLUMN_NAME":"HS chip"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS"},

"MS":{"INSTRUMENT_NAME":"Thermo Exactive Plus Orbitrap","INSTRUMENT_TYPE":"Orbitrap","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"µCE-HRMS analyses were performed using the microchip ZipChip® capillary electrophoresis system (classic interface, 908 Devices, Boston MA), coupled to a high-resolution accurate mass Q Exactive plus mass spectrometer (Thermo Fisher Scientific, MA). µCE-HRMS separations used ZipChip® HS chips (10 cm channel). All experiments were performed in positive ionization mode in the 50-500 m/z range at a mass resolution setting of 17,500. The capillary temperature was set to 200 °C and the sheath gas flow rate was 2 psi. The automatic gain control (AGC) target value was set to 3E6 and the maximum injection time was 20 ms. Data were acquired using Xcalibur 3.0 (Thermo Scientific) and were imported to Skyline software14 for peak picking and integration. The peak picking procedure used the analyte accurate m/z and migration time. Peak areas obtained from Skyline were exported as spreadsheets for further analysis. Quantitation was performed with the analyte peak areas relative to the peak area of one of the three isotopically labeled internal standards (13C6 arginine, 13C methionine D3 and 13C phenylalanine) chosen based on migration time similarities"},

"MS_METABOLITE_DATA":{
"Units":"Micromolars",

"Data":[{"Metabolite":"Alanine","T11_1":"16.08042421","T11_2":"18.76082853","T11_3":"13.71557187","T11_4":"11.5784383","T11_5":"28.32931746","T11_6":"14.71174298","T11_7":"14.49108647","T11_8":"15.12982504","T11_10":"12.10368714","T11_11":"15.30137234","T11_12":"10.25044023","T11_13":"15.04765625","T11_14":"13.43412898","T11_15":"19.5920378","T13_1":"10.93671638","T13_2":"11.19196448","T13_3":"10.88506657","T13_4":"10.7436622","T13_5":"13.40006414","T13_6":"10.36323088","T13_7":"9.308366261","T13_8":"13.63693376","T13_9":"22.85199986","C8_1":"15.08073538","C8_2":"14.87746856","C8_3":"10.36747466","C8_4":"12.64029737","C8_5":"10.70072793","C8_6":"9.639706751","C8_7":"10.52168504","C8_8":"10.93175619","C8_9":"12.62501865","C8_10":"12.68743139","C8_11":"17.08340705","C8_12":"15.17888922","C8_13":"13.39720936","C8_14":"19.51723984","C10_1":"14.10045433","C10_2":"11.99987873","C10_3":"9.799119407","C10_4":"14.03079165","C10_5":"9.549657528","C10_6":"10.58376168","C10_7":"10.87373964","C10_8":"15.22542536","C10_9":"10.75757334","C10_10":"14.02098222","C10_11":"17.93033825","C10_12":"10.92361523","T15_1":"15.34764517","T15_3":"24.20531869","T15_5":"16.75501336","T15_6":"14.94750589","T15_7":"20.80568285","T15_8":"23.17698772","T15_9":"18.66900087","T15_10":"23.93771645","T15_11":"13.99607233","C13_1":"13.26865578","C13_2":"18.41759798","C13_3":"13.75967642","C13_4":"13.63779972","C13_5":"17.28198686","C13_6":"19.15920933","C13_7":"18.01859561","C13_8":"11.85396476","C13_9":"15.07152708","C13_10":"16.59816792","C13_11":"16.50931667","C13_12":"24.57785623","C13_13":"30.74785469"},{"Metabolite":"aminoisobutyric 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}