{ "METABOLOMICS WORKBENCH":{"STUDY_ID":"ST001792","ANALYSIS_ID":"AN002907","VERSION":"1","CREATED_ON":"May 18, 2021, 4:52 am"}, "PROJECT":{"PROJECT_TITLE":"LDR_mouse_biofluid_metabolomics","PROJECT_SUMMARY":"An important component of ionizing radiation (IR) exposure after a radiological incident may include low-dose rate (LDR) exposures either externally or internally, such as from 137Cs deposition. LDR exposures can have different effects compared to acute high-dose rate exposures from a health and biodosimetry perspective. In this study, a novel irradiation system, VAriable Dose-rate External 137Cs irradiatoR (VADER), was used to expose male and female mice to a variable LDR over a 30-day time span to cumulative doses of 1 (only in males), 2, 2.8, 4.1, 8.8 (only in males), or 9.7 Gy to simulate fall-out type exposures. Urine and serum from mice exposed to an acute dose (~0.8 Gy/min) of x-rays were collected in parallel. Radiation markers were identified by global mass spectrometry based metabolomics and the machine learning algorithm Random Forests.","INSTITUTE":"Georgetown University","LAST_NAME":"Pannkuk","FIRST_NAME":"Evan","ADDRESS":"3970 Reservoir Rd, NW New Research Building E504","EMAIL":"elp44@georgetown.edu","PHONE":"2026875650"}, "STUDY":{"STUDY_TITLE":"Effect of external low-dose rate radiation on mouse biofluid metabolomic signatures","STUDY_SUMMARY":"An important component of ionizing radiation (IR) exposure after a radiological incident may include low-dose rate (LDR) exposures either externally or internally, such as from 137Cs deposition. LDR exposures can have different effects compared to acute high-dose rate exposures from a health and biodosimetry perspective. In this study, a novel irradiation system, VAriable Dose-rate External 137Cs irradiatoR (VADER), was used to expose male and female mice to a variable LDR over a 30-day time span to cumulative doses of 1 (only in males), 2, 2.8, 4.1, 8.8 (only in males), or 9.7 Gy to simulate fall-out type exposures. Urine and serum from mice exposed to an acute dose (~0.8 Gy/min) of x-rays were collected in parallel. Radiation markers were identified by global mass spectrometry based metabolomics and the machine learning algorithm Random Forests.","INSTITUTE":"Georgetown University","LAST_NAME":"Pannkuk","FIRST_NAME":"Evan","ADDRESS":"3970 Reservoir Rd, NW New Research Building E504","EMAIL":"elp44@georgetown.edu","PHONE":"2026875650"}, "SUBJECT":{"SUBJECT_TYPE":"Mammal","SUBJECT_SPECIES":"Mus musculus","TAXONOMY_ID":"10090","GENDER":"Male"}, "SUBJECT_SAMPLE_FACTORS":[ { "Subject ID":"114V", "Sample ID":"12", "Factors":{"Factor":"LDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_12_2"} }, { "Subject ID":"93A", "Sample ID":"13", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_9"} }, { "Subject ID":"63A", "Sample ID":"14", "Factors":{"Factor":"HDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_10"} }, { "Subject ID":"113V", "Sample ID":"15", "Factors":{"Factor":"LDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_13_2"} }, { "Subject ID":"123V", "Sample ID":"16", "Factors":{"Factor":"LDR","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_14"} }, { "Subject ID":"159V", "Sample ID":"19", "Factors":{"Factor":"Control","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_15"} }, { "Subject ID":"99A", "Sample ID":"20", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_16_2"} }, { "Subject ID":"153V", "Sample ID":"21", "Factors":{"Factor":"Control","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_19_2"} }, { "Subject ID":"151V", "Sample ID":"22", "Factors":{"Factor":"Control","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_20_2"} }, { "Subject ID":"89A", "Sample ID":"23", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_11"} }, { "Subject ID":"87A", "Sample ID":"29", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_97"} }, { "Subject ID":"90A", "Sample ID":"30", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_13"} }, { "Subject ID":"115V", "Sample ID":"31", "Factors":{"Factor":"LDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_21"} }, { "Subject ID":"72A", "Sample ID":"32", "Factors":{"Factor":"HDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_16"} }, { "Subject ID":"186V", "Sample ID":"33", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_17"} }, { "Subject ID":"77A", "Sample ID":"36", "Factors":{"Factor":"HDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_22"} }, { "Subject ID":"100A", "Sample ID":"37", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_23"} }, { "Subject ID":"172V", "Sample ID":"38", "Factors":{"Factor":"LDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_18"} }, { "Subject ID":"130V", "Sample ID":"39", "Factors":{"Factor":"LDR","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_29_2"} }, { "Subject ID":"126V", "Sample ID":"40", "Factors":{"Factor":"LDR","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_30_2"} }, { "Subject ID":"75A", "Sample ID":"46", "Factors":{"Factor":"HDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_19"} }, { "Subject ID":"171V", "Sample ID":"47", "Factors":{"Factor":"LDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_20"} }, { "Subject ID":"158V", "Sample ID":"48", "Factors":{"Factor":"Control","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_31"} }, { "Subject ID":"176V", "Sample ID":"49", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_26"} }, { "Subject ID":"156V", "Sample ID":"50", "Factors":{"Factor":"Control","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_32"} }, { "Subject ID":"152V", "Sample ID":"53", "Factors":{"Factor":"Control","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_33_2"} }, { "Subject ID":"70A", "Sample ID":"54", "Factors":{"Factor":"HDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_27"} }, { "Subject ID":"95A", "Sample ID":"55", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_28"} }, { "Subject ID":"157V", "Sample ID":"56", "Factors":{"Factor":"Control","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_36_2"} }, { "Subject ID":"5V", "Sample ID":"57", "Factors":{"Factor":"LDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_29"} }, { "Subject ID":"178V", "Sample ID":"63", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_30"} }, { "Subject ID":"67A", "Sample ID":"64", "Factors":{"Factor":"HDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_33"} }, { "Subject ID":"112V", "Sample ID":"65", "Factors":{"Factor":"LDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_37_2"} }, { "Subject ID":"2V", "Sample ID":"66", "Factors":{"Factor":"LDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_34"} }, { "Subject ID":"96A", "Sample ID":"67", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_38"} }, { "Subject ID":"160V", "Sample ID":"70", "Factors":{"Factor":"Control","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_39"} }, { "Subject ID":"97A", "Sample ID":"71", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_40"} }, { "Subject ID":"84A", "Sample ID":"72", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_35"} }, { "Subject ID":"122V", "Sample ID":"73", "Factors":{"Factor":"LDR","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_46_2"} }, { "Subject ID":"174V", "Sample ID":"74", "Factors":{"Factor":"LDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_36"} }, { "Subject ID":"88A", "Sample ID":"80", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_37"} }, { "Subject ID":"173V", "Sample ID":"81", "Factors":{"Factor":"LDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_43"} }, { "Subject ID":"69A", "Sample ID":"82", "Factors":{"Factor":"HDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_44"} }, { "Subject ID":"154V", "Sample ID":"83", "Factors":{"Factor":"Control","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_47_2"} }, { "Subject ID":"82A", "Sample ID":"84", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_45"} }, { "Subject ID":"68A", "Sample ID":"87", "Factors":{"Factor":"HDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_46"} }, { "Subject ID":"71A", "Sample ID":"88", "Factors":{"Factor":"HDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_47"} }, { "Subject ID":"183V", "Sample ID":"89", "Factors":{"Factor":"LDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_50"} }, { "Subject ID":"3V", "Sample ID":"90", "Factors":{"Factor":"LDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_51"} }, { "Subject ID":"155V", "Sample ID":"91", "Factors":{"Factor":"Control","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_48"} }, { "Subject ID":"175V", "Sample ID":"97", "Factors":{"Factor":"LDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_52"} }, { "Subject ID":"62A", "Sample ID":"98", "Factors":{"Factor":"HDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_53"} }, { "Subject ID":"190V", "Sample ID":"99", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_54"} }, { "Subject ID":"141V", "Sample ID":"100", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_49"} }, { "Subject ID":"85A", "Sample ID":"101", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_60"} }, { "Subject ID":"177V", "Sample ID":"104", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_61"} }, { "Subject ID":"78A", "Sample ID":"105", "Factors":{"Factor":"HDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_50_2"} }, { "Subject ID":"64A", "Sample ID":"106", "Factors":{"Factor":"HDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_62"} }, { "Subject ID":"184V", "Sample ID":"107", "Factors":{"Factor":"LDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_63"} }, { "Subject ID":"143V", "Sample ID":"108", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_53_2"} }, { "Subject ID":"94A", "Sample ID":"114", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_64"} }, { "Subject ID":"4V", "Sample ID":"115", "Factors":{"Factor":"LDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_67"} }, { "Subject ID":"180V", "Sample ID":"116", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_68"} }, { "Subject ID":"80A", "Sample ID":"117", "Factors":{"Factor":"HDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_54_2"} }, { "Subject ID":"121V", "Sample ID":"118", "Factors":{"Factor":"LDR","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_55"} }, { "Subject ID":"66A", "Sample ID":"121", "Factors":{"Factor":"HDR","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_69"} }, { "Subject ID":"187V", "Sample ID":"122", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_70"} }, { "Subject ID":"86A", "Sample ID":"123", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_56"} }, { "Subject ID":"92A", "Sample ID":"124", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_57"} }, { "Subject ID":"185V", "Sample ID":"125", "Factors":{"Factor":"LDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_71"} }, { "Subject ID":"179V", "Sample ID":"131", "Factors":{"Factor":"Control","Factor":"D2"}, "Additional sample data":{"RAW_FILE_NAME":"POS_77"} }, { "Subject ID":"144V", "Sample ID":"132", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_63_2"} }, { "Subject ID":"189V", "Sample ID":"133", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_78"} }, { "Subject ID":"124V", "Sample ID":"134", "Factors":{"Factor":"LDR","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_64_2"} }, { "Subject ID":"33V", "Sample ID":"135", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_79"} }, { "Subject ID":"73A", "Sample ID":"138", "Factors":{"Factor":"HDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_65"} }, { "Subject ID":"81A", "Sample ID":"139", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_80"} }, { "Subject ID":"128V", "Sample ID":"140", "Factors":{"Factor":"LDR","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_66"} }, { "Subject ID":"127V", "Sample ID":"141", "Factors":{"Factor":"LDR","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_67_2"} }, { "Subject ID":"111V", "Sample ID":"142", "Factors":{"Factor":"LDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_70_2"} }, { "Subject ID":"65A", "Sample ID":"148", "Factors":{"Factor":"HDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_71_2"} }, { "Subject ID":"1V", "Sample ID":"149", "Factors":{"Factor":"LDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_81"} }, { "Subject ID":"181V", "Sample ID":"150", "Factors":{"Factor":"LDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_84"} }, { "Subject ID":"142V", "Sample ID":"151", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_72"} }, { "Subject ID":"182V", "Sample ID":"152", "Factors":{"Factor":"LDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_85"} }, { "Subject ID":"188V", "Sample ID":"155", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_86"} }, { "Subject ID":"145V", "Sample ID":"156", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_73"} }, { "Subject ID":"83A", "Sample ID":"157", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_87"} }, { "Subject ID":"76A", "Sample ID":"158", "Factors":{"Factor":"HDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_74"} }, { "Subject ID":"129V", "Sample ID":"159", "Factors":{"Factor":"LDR","Factor":"D30"}, "Additional sample data":{"RAW_FILE_NAME":"POS_77_2"} }, { "Subject ID":"34V", "Sample ID":"165", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_88"} }, { "Subject ID":"61A", "Sample ID":"166", "Factors":{"Factor":"HDR","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_94"} }, { "Subject ID":"125V", "Sample ID":"167", "Factors":{"Factor":"LDR","Factor":"D20"}, "Additional sample data":{"RAW_FILE_NAME":"POS_78_2"} }, { "Subject ID":"91A", "Sample ID":"168", "Factors":{"Factor":"Control","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_95"} }, { "Subject ID":"32V", "Sample ID":"169", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_12"} }, { "Subject ID":"79A", "Sample ID":"172", "Factors":{"Factor":"HDR","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_79_2"} }, { "Subject ID":"35V", "Sample ID":"173", "Factors":{"Factor":"Control","Factor":"D1"}, "Additional sample data":{"RAW_FILE_NAME":"POS_96"} }, { "Subject ID":"98A", "Sample ID":"174", "Factors":{"Factor":"Control","Factor":"D5"}, "Additional sample data":{"RAW_FILE_NAME":"POS_80_2"} }, { "Subject ID":"74A", "Sample ID":"175", "Factors":{"Factor":"HDR","Factor":"D3"}, "Additional sample data":{"RAW_FILE_NAME":"POS_98"} } ], "COLLECTION":{"COLLECTION_SUMMARY":"Serum was collected after irradiation","SAMPLE_TYPE":"Blood (serum)"}, "TREATMENT":{"TREATMENT_SUMMARY":"The VADER was designed to deliver controlled dose rates in the range 0.1 – 1 Gy/day to a cohort of up to 15 mice. The VADER uses ~0.5 Ci of retired 137Cs brachytherapy seeds that are arranged in two platters placed above and below a “mouse hotel”. The platters can be placed ~0.5 – 60 cm above and below the mouse hotel allowing implementation of time-variable dose rates. Offline dosimetry of the VADER was performed annually using a NIST traceable 10x6-6 ionization chamber (Radcal Corp., Monrovia, CA). Dose uniformity across the surface was measured using EBT3 film (Ashland, Covington, KY, USA) and the variation was 15% across the hotel. A lead and high-density concrete brick shield ensured minimal radiation doses to occupationally exposed personnel (operators) inside (< 0.1 mGy/wk) and outside the room (< 0.02 mGy/wk). The mouse hotel consists of an acrylic box (35 x 35 x 12 cm) allowing housing of ≤ 15 mice with bedding material and food/water ad libitum. Temperature (20 – 25°C), humidity (40 – 60%), airflow and lighting were fully controlled to required animal care standards (temperature/humidity sensor, HWg HTemp, TruePath Technologies Victor, NY). Environmental controls and monitoring were integrated into the mouse hotel for easy replacement in case of radiation damage. Mice were monitored in real time using a 180° fisheye ELP USB camera (Amazon)."}, "SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"Samples were prepared and analyzed as previously described.18, 19 Briefly, serum (5 μl) was deproteinized (195 μl 66% cold acetonitrile [ACN]) with internal standards (2 μM debrisoquine [M+H]+ = 176.1188; 30 μM 4-nitrobenzoic acid [M-H]- = 166.0141), vortexed, incubated on ice (10 min), and centrifuged for 10 min (max speed, 4 °C).","PROCESSING_STORAGE_CONDITIONS":"-80℃"}, "CHROMATOGRAPHY":{"CHROMATOGRAPHY_SUMMARY":"Mobile phases consisted of the following: solvent A (water/0.1% formic acid [FA]), solvent B (ACN/0.1% FA), solvent C (isopropanol [IPA]/ACN (90:10)/0.1% FA). The gradient for urine was (solvent A and B) 4.0 min 5% B, 4.0 min 20% B, 5.1 min 95% B, and 1.9 min 5% B at a flow rate of 0.5 ml/min. The gradient for serum was (solvent A, B, and C) 4.0 min 98:2 A:B, 4.0 min 40:60 A:B, 1.5 min 2:98 A:B, 2.0 min 2:98 A:C, 0.5 min 50:50 A:C, and 1.0 min 98:2 A:B at a flow rate of 0.5 ml/min.","CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Waters Acquity","COLUMN_NAME":"Waters Acquity BEH C18 (50 x 2.1mm, 1.7 um)"}, "ANALYSIS":{"ANALYSIS_TYPE":"MS"}, "MS":{"INSTRUMENT_NAME":"Waters Synapt G2 S QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"POSITIVE","MS_COMMENTS":"Negative and positive electrospray ionization (ESI) data-independent modes were used for data acquisition with leucine enkephalin ([M+H]+ = 556.2771, [M-H]- = 554.2615) as Lock-Spray®. Operating conditions for ESI were: capillary voltage 2.75 kV, cone voltage 30 V, desolvation temperature 500°C, desolvation gas flow 1000 L/Hr.","MS_RESULTS_FILE":"ST001792_AN002907_Results.txt UNITS:peak area Has m/z:Yes Has RT:Yes RT units:Minutes"} }