{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000603","ANALYSIS_ID":"AN000923","VERSION":"1","CREATED_ON":"May 10, 2017, 1:52 pm"},

"PROJECT":{"PROJECT_TITLE":"Urinary Volatile Compound, Associated with Chronic Inflammation In Interstitial Cystitis","PROJECT_SUMMARY":"Interstitial cystitis (IC)/bladder pain syndrome (BPS) is a clinical condition that manifests as a sensory hypersensitivity of unknown cause and is characterized by urinary frequency, bladder discomfort, and pelvic pain. In the present volatolomic study, we have analyzed the VOCs unique to urine specimens obtained from interstitial cystitis patients, in compassion to healthy controls.This is the novel finding from comprehensive and unbiased metabolomics analysis that urinary menthol is decreased in urine specimens from IC patients, and that the reduced menthol level in IC is potentially linked to the chronic inflammation, which is often observed in IC patients","INSTITUTE":"Cedars-Sinai Medical Center","LAST_NAME":"Kim","FIRST_NAME":"Jayoung","ADDRESS":"8700 Beverly Blvd. Davis Research Building Ste 5071 Los Angeles, CA 90048","EMAIL":"jayoung.kim@cshs.org","PHONE":"310-423-7168"},

"STUDY":{"STUDY_TITLE":"Urinary Volatile Compound, Associated with Chronic Inflammation In Interstitial Cystitis","STUDY_SUMMARY":"Interstitial cystitis (IC)/bladder pain syndrome (BPS) is a clinical condition that manifests as a sensory hypersensitivity of unknown cause and is characterized by urinary frequency, bladder discomfort, and pelvic pain. In the present volatolomic study, we have analyzed the VOCs unique to urine specimens obtained from interstitial cystitis patients, in compassion to healthy controls.This is the novel finding from comprehensive and unbiased metabolomics analysis that urinary menthol is decreased in urine specimens from IC patients, and that the reduced menthol level in IC is potentially linked to the chronic inflammation, which is often observed in IC patients","INSTITUTE":"University of California, Davis","DEPARTMENT":"Genome and Biomedical Sciences Facility","LABORATORY":"WCMC Metabolomics Core","LAST_NAME":"Fiehn","FIRST_NAME":"Oliver","ADDRESS":"Health Sciences Drive, Davis, California, 95616, USA","EMAIL":"ofiehn@ucdavis.edu","PHONE":"(530) 754-8258"},

"SUBJECT":{"SUBJECT_TYPE":"Human","SUBJECT_SPECIES":"Homo sapiens","TAXONOMY_ID":"9606"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"C10_001",
"Sample ID":"160427blvsa17_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C13_002",
"Sample ID":"160427blvsa10_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C15_003",
"Sample ID":"160427blvsa09_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C16_004",
"Sample ID":"160427blvsa08_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C17_005",
"Sample ID":"160427blvsa19_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C18_006",
"Sample ID":"160427blvsa15_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C26_007",
"Sample ID":"160427blvsa14_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C27_008",
"Sample ID":"160427blvsa05_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C28_009",
"Sample ID":"160427blvsa18_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"C33_010",
"Sample ID":"160427blvsa13_1",
"Factors":{"Treatment":"control"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC12_013",
"Sample ID":"160427blvsa01_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC14_014",
"Sample ID":"160427blvsa20_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC19_015",
"Sample ID":"160427blvsa12_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC20_016",
"Sample ID":"160427blvsa02_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC22_017",
"Sample ID":"160427blvsa04_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC30_018",
"Sample ID":"160427blvsa11_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC31_019",
"Sample ID":"160427blvsa07_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC43_020",
"Sample ID":"160427blvsa03_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC5_011",
"Sample ID":"160427blvsa16_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
},
{
"Subject ID":"IC9_012",
"Sample ID":"160427blvsa06_1",
"Factors":{"Treatment":"IC"},
"Additional sample data":{"Source":"Urine"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"First morning urine specimens were obtained using clean catch methods, and sent to clinical laboratory. After a 10 min centrifugation to remove cell debris, urine specimens were stored at −80◦C until further analysis."},

"TREATMENT":{"TREATMENT_SUMMARY":"No treatment"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"1. Vortex the urine samples for about 10s to obtain a homogenized sample using the MiniVortexer VWR. 2. Aliquot 15-30ul and add 1ml extraction solution. The extraction solution has to be pre-chilled using the ThermoElectron Neslab RTE 740 cooling bath set to -20°C. 3. Vortex the sample for about 10s and shake for 5min at 4°C using the Orbital Mixing Chilling/Heating plate. If you are using more than one sample, keep the rest of the samples on ice (chilled at <0°C with NaCl). 4. Centrifuge samples for 2min at 14000 rcf using the centrifuge Eppendorf 5415 D. 5. Aliquot 2X 0.5ml supernatant. One for analysis and one for backup. Store 2nd aliquot in -20°C freezer. 6. Evaporate 0.5ml aliquots of the sample in the Labconco Centrivap cold trap concentrator to complete dryness. 7. Submit to derivatization.","SAMPLEPREP_PROTOCOL_FILENAME":"SOP_Extraction_of_Urine.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"GC","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Restek Rtx-5Sil MS (30 x 0.25mm, 0.25um) 0.25 μm film made of 95% dimethyl/5%diphenylpolysiloxane)","FLOW_RATE":"1 ml/min","COLUMN_TEMPERATURE":"50 - 330°C","COLUMN_PRESSURE":"7.7 PSI (initial condition)","INJECTION_TEMPERATURE":"50°C ramped to 250°C by 12°C/s","SAMPLE_INJECTION":"0.5µl","OVEN_TEMPERATURE":"50°C for 1 min, then ramped at 20°C/min to 330°C, held constant for 5 min","TRANSFERLINE_TEMPERATURE":"230°C","WASHING_BUFFER":"Ethyl Acetate","SAMPLE_LOOP_SIZE":"30 m length x 0.25 mm internal diameter","RANDOMIZATION_ORDER":"Excel generated"},

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

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Varian 210-MS GC Ion Trap","INSTRUMENT_TYPE":"GC Ion Trap","MS_TYPE":"EI","ION_MODE":"POSITIVE","ION_SOURCE_TEMPERATURE":"250°C","IONIZATION_ENERGY":"70eV","MASS_ACCURACY":"Nominal","SOURCE_TEMPERATURE":"250°C","SCANNING_CYCLE":"17 Hz","SCANNING_RANGE":"85-500","SKIMMER_VOLTAGE":"1850 V"},

"MS_METABOLITE_DATA":{
"Units":"Counts",

"Data":[{"Metabolite":"2-Heptanone, 4,6-dimethyl-","160427blvsa17_1":"10861","160427blvsa10_1":"7432","160427blvsa09_1":"5502","160427blvsa08_1":"6840","160427blvsa19_1":"5128","160427blvsa15_1":"4226","160427blvsa14_1":"2158","160427blvsa05_1":"7012","160427blvsa18_1":"1970","160427blvsa13_1":"4502","160427blvsa01_1":"1878","160427blvsa20_1":"8494","160427blvsa12_1":"8236","160427blvsa02_1":"5210","160427blvsa04_1":"2339","160427blvsa11_1":"2734","160427blvsa07_1":"7868","160427blvsa03_1":"8040","160427blvsa16_1":"6328","160427blvsa06_1":"9536"},{"Metabolite":"2-Heptanone, 4-methyl-","160427blvsa17_1":"21740","160427blvsa10_1":"16862","160427blvsa09_1":"10920","160427blvsa08_1":"13605","160427blvsa19_1":"9814","160427blvsa15_1":"7831","160427blvsa14_1":"3308","160427blvsa05_1":"16918","160427blvsa18_1":"3006","160427blvsa13_1":"8439","160427blvsa01_1":"4078","160427blvsa20_1":"21001","160427blvsa12_1":"19064","160427blvsa02_1":"9155","160427blvsa04_1":"6732","160427blvsa11_1":"1920","160427blvsa07_1":"19844","160427blvsa03_1":"15833","160427blvsa16_1":"14307","160427blvsa06_1":"21256"},{"Metabolite":"2-Heptanone","160427blvsa17_1":"2499","160427blvsa10_1":"3935","160427blvsa09_1":"2817","160427blvsa08_1":"2610","160427blvsa19_1":"2188","160427blvsa15_1":"7432","160427blvsa14_1":"5034","160427blvsa05_1":"4263","160427blvsa18_1":"3753","160427blvsa13_1":"4614","160427blvsa01_1":"2139","160427blvsa20_1":"2873","160427blvsa12_1":"1668","160427blvsa02_1":"1254","160427blvsa04_1":"5474","160427blvsa11_1":"1772","160427blvsa07_1":"2325","160427blvsa03_1":"2153","160427blvsa16_1":"9130","160427blvsa06_1":"4145"},{"Metabolite":"4-Heptanone","160427blvsa17_1":"22915","160427blvsa10_1":"97506","160427blvsa09_1":"25148","160427blvsa08_1":"55730","160427blvsa19_1":"76229","160427blvsa15_1":"194896","160427blvsa14_1":"227266","160427blvsa05_1":"75812","160427blvsa18_1":"109550","160427blvsa13_1":"30610","160427blvsa01_1":"270328","160427blvsa20_1":"32209","160427blvsa12_1":"64385","160427blvsa02_1":"24148","160427blvsa04_1":"97657","160427blvsa11_1":"43861","160427blvsa07_1":"21656","160427blvsa03_1":"108689","160427blvsa16_1":"51015","160427blvsa06_1":"28037"},{"Metabolite":"Benzaldehyde, 4-methyl-","160427blvsa17_1":"7241","160427blvsa10_1":"4509","160427blvsa09_1":"6192","160427blvsa08_1":"12714","160427blvsa19_1":"3429","160427blvsa15_1":"5000","160427blvsa14_1":"1937","160427blvsa05_1":"4685","160427blvsa18_1":"3044","160427blvsa13_1":"8964","160427blvsa01_1":"1538","160427blvsa20_1":"4321","160427blvsa12_1":"3985","160427blvsa02_1":"6255","160427blvsa04_1":"1567","160427blvsa11_1":"1461","160427blvsa07_1":"4092","160427blvsa03_1":"3869","160427blvsa16_1":"3941","160427blvsa06_1":"5290"},{"Metabolite":"Benzaldehyde","160427blvsa17_1":"2708","160427blvsa10_1":"980","160427blvsa09_1":"775","160427blvsa08_1":"13614","160427blvsa19_1":"989","160427blvsa15_1":"1204","160427blvsa14_1":"4955","160427blvsa05_1":"72550","160427blvsa18_1":"395","160427blvsa13_1":"1315","160427blvsa01_1":"678","160427blvsa20_1":"1287","160427blvsa12_1":"4258","160427blvsa02_1":"860","160427blvsa04_1":"2094","160427blvsa11_1":"752","160427blvsa07_1":"2208","160427blvsa03_1":"1724","160427blvsa16_1":"2387","160427blvsa06_1":"9863"},{"Metabolite":"Benzene, 1,3-bis(1,1-dimethylethyl)-","160427blvsa17_1":"5752","160427blvsa10_1":"6890","160427blvsa09_1":"4977","160427blvsa08_1":"11361","160427blvsa19_1":"5647","160427blvsa15_1":"4020","160427blvsa14_1":"2890","160427blvsa05_1":"6351","160427blvsa18_1":"2165","160427blvsa13_1":"5613","160427blvsa01_1":"2039","160427blvsa20_1":"7510","160427blvsa12_1":"4888","160427blvsa02_1":"5988","160427blvsa04_1":"1775","160427blvsa11_1":"934","160427blvsa07_1":"54663","160427blvsa03_1":"6986","160427blvsa16_1":"5604","160427blvsa06_1":"6729"},{"Metabolite":"Benzoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester","160427blvsa17_1":"1728","160427blvsa10_1":"903","160427blvsa09_1":"540","160427blvsa08_1":"905","160427blvsa19_1":"2353","160427blvsa15_1":"612","160427blvsa14_1":"543","160427blvsa05_1":"1401","160427blvsa18_1":"446","160427blvsa13_1":"1354","160427blvsa01_1":"363","160427blvsa20_1":"1938","160427blvsa12_1":"780","160427blvsa02_1":"728","160427blvsa04_1":"877","160427blvsa11_1":"242","160427blvsa07_1":"1206","160427blvsa03_1":"1987","160427blvsa16_1":"2509","160427blvsa06_1":"2173"},{"Metabolite":"Ethylbenzene","160427blvsa17_1":"5469","160427blvsa10_1":"7338","160427blvsa09_1":"7928","160427blvsa08_1":"9139","160427blvsa19_1":"9591","160427blvsa15_1":"1951","160427blvsa14_1":"3913","160427blvsa05_1":"8232","160427blvsa18_1":"2683","160427blvsa13_1":"5854","160427blvsa01_1":"2694","160427blvsa20_1":"37113","160427blvsa12_1":"4031","160427blvsa02_1":"2464","160427blvsa04_1":"1995","160427blvsa11_1":"1008","160427blvsa07_1":"19764","160427blvsa03_1":"7003","160427blvsa16_1":"6735","160427blvsa06_1":"7095"},{"Metabolite":"Hexaethylene glycol dimethyl ether","160427blvsa17_1":"3959","160427blvsa10_1":"2718","160427blvsa09_1":"1462","160427blvsa08_1":"2390","160427blvsa19_1":"3287","160427blvsa15_1":"1696","160427blvsa14_1":"1424","160427blvsa05_1":"2035","160427blvsa18_1":"745","160427blvsa13_1":"3435","160427blvsa01_1":"758","160427blvsa20_1":"3763","160427blvsa12_1":"2267","160427blvsa02_1":"2011","160427blvsa04_1":"1173","160427blvsa11_1":"556","160427blvsa07_1":"3147","160427blvsa03_1":"4114","160427blvsa16_1":"3049","160427blvsa06_1":"3498"},{"Metabolite":"o-Xylene","160427blvsa17_1":"5469","160427blvsa10_1":"7338","160427blvsa09_1":"7928","160427blvsa08_1":"9139","160427blvsa19_1":"9591","160427blvsa15_1":"1951","160427blvsa14_1":"3913","160427blvsa05_1":"8232","160427blvsa18_1":"2683","160427blvsa13_1":"5854","160427blvsa01_1":"2694","160427blvsa20_1":"37113","160427blvsa12_1":"4031","160427blvsa02_1":"2464","160427blvsa04_1":"1995","160427blvsa11_1":"1008","160427blvsa07_1":"19764","160427blvsa03_1":"7003","160427blvsa16_1":"6735","160427blvsa06_1":"7095"},{"Metabolite":"styrene","160427blvsa17_1":"5694","160427blvsa10_1":"5952","160427blvsa09_1":"6046","160427blvsa08_1":"9125","160427blvsa19_1":"5211","160427blvsa15_1":"3857","160427blvsa14_1":"2148","160427blvsa05_1":"3883","160427blvsa18_1":"1701","160427blvsa13_1":"11155","160427blvsa01_1":"2482","160427blvsa20_1":"7158","160427blvsa12_1":"5587","160427blvsa02_1":"2720","160427blvsa04_1":"2525","160427blvsa11_1":"2762","160427blvsa07_1":"12263","160427blvsa03_1":"7661","160427blvsa16_1":"5683","160427blvsa06_1":"8493"},{"Metabolite":"t-Butyl ethyl ether2","160427blvsa17_1":"19150","160427blvsa10_1":"16797","160427blvsa09_1":"21771","160427blvsa08_1":"31084","160427blvsa19_1":"14606","160427blvsa15_1":"6027","160427blvsa14_1":"","160427blvsa05_1":"12141","160427blvsa18_1":"4844","160427blvsa13_1":"15827","160427blvsa01_1":"2718","160427blvsa20_1":"12724","160427blvsa12_1":"17674","160427blvsa02_1":"10631","160427blvsa04_1":"3646","160427blvsa11_1":"1921","160427blvsa07_1":"7068","160427blvsa03_1":"6335","160427blvsa16_1":"10015","160427blvsa06_1":"13762"},{"Metabolite":"Thiocyanic acid, 2-propenyl ester","160427blvsa17_1":"","160427blvsa10_1":"1497","160427blvsa09_1":"7474","160427blvsa08_1":"833","160427blvsa19_1":"2829","160427blvsa15_1":"2916","160427blvsa14_1":"3464","160427blvsa05_1":"1262","160427blvsa18_1":"1644","160427blvsa13_1":"500","160427blvsa01_1":"3641","160427blvsa20_1":"604","160427blvsa12_1":"938","160427blvsa02_1":"853","160427blvsa04_1":"2502","160427blvsa11_1":"1118","160427blvsa07_1":"438","160427blvsa03_1":"1501","160427blvsa16_1":"2719","160427blvsa06_1":"3525"},{"Metabolite":"toluene","160427blvsa17_1":"14670","160427blvsa10_1":"9597","160427blvsa09_1":"8101","160427blvsa08_1":"16070","160427blvsa19_1":"10241","160427blvsa15_1":"4590","160427blvsa14_1":"","160427blvsa05_1":"8416","160427blvsa18_1":"2275","160427blvsa13_1":"11930","160427blvsa01_1":"2625","160427blvsa20_1":"11644","160427blvsa12_1":"7317","160427blvsa02_1":"10860","160427blvsa04_1":"5870","160427blvsa11_1":"2138","160427blvsa07_1":"21443","160427blvsa03_1":"13956","160427blvsa16_1":"8567","160427blvsa06_1":"15523"},{"Metabolite":"2-Pentanone","160427blvsa17_1":"22291","160427blvsa10_1":"54326","160427blvsa09_1":"9230","160427blvsa08_1":"26189","160427blvsa19_1":"","160427blvsa15_1":"26576","160427blvsa14_1":"27101","160427blvsa05_1":"10988","160427blvsa18_1":"148235","160427blvsa13_1":"109629","160427blvsa01_1":"8343","160427blvsa20_1":"41454","160427blvsa12_1":"27360","160427blvsa02_1":"9284","160427blvsa04_1":"20193","160427blvsa11_1":"15496","160427blvsa07_1":"14910","160427blvsa03_1":"","160427blvsa16_1":"27096","160427blvsa06_1":"18913"},{"Metabolite":"2-Propanol, 2-methyl-","160427blvsa17_1":"10570","160427blvsa10_1":"11793","160427blvsa09_1":"14042","160427blvsa08_1":"21161","160427blvsa19_1":"","160427blvsa15_1":"4829","160427blvsa14_1":"2757","160427blvsa05_1":"","160427blvsa18_1":"4943","160427blvsa13_1":"16289","160427blvsa01_1":"2002","160427blvsa20_1":"8254","160427blvsa12_1":"15429","160427blvsa02_1":"9159","160427blvsa04_1":"2863","160427blvsa11_1":"3264","160427blvsa07_1":"7357","160427blvsa03_1":"","160427blvsa16_1":"7740","160427blvsa06_1":"8137"},{"Metabolite":"Allyl 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"Metabolites":[{"Metabolite":"2-Heptanone, 4,6-dimethyl-","m/z":"423.714"},{"Metabolite":"2-Heptanone, 4-methyl-","m/z":"396.607"},{"Metabolite":"2-Heptanone","m/z":"370.794"},{"Metabolite":"4-Heptanone","m/z":"360.151"},{"Metabolite":"Benzaldehyde, 4-methyl-","m/z":"478.457"},{"Metabolite":"Benzaldehyde","m/z":"414.835"},{"Metabolite":"Benzene, 1,3-bis(1,1-dimethylethyl)-","m/z":"550.546"},{"Metabolite":"Benzoic acid, 2-[(trimethylsilyl)oxy]-, trimethylsilyl ester","m/z":"588.472"},{"Metabolite":"Ethylbenzene","m/z":"361.151"},{"Metabolite":"Hexaethylene glycol dimethyl ether","m/z":"648.859"},{"Metabolite":"o-Xylene","m/z":"361.092"},{"Metabolite":"styrene","m/z":"373.146"},{"Metabolite":"t-Butyl ethyl ether2","m/z":"228.028"},{"Metabolite":"Thiocyanic acid, 2-propenyl ester","m/z":"362.033"},{"Metabolite":"toluene","m/z":"301.939"},{"Metabolite":"2-Pentanone","m/z":"259.78"},{"Metabolite":"2-Propanol, 2-methyl-","m/z":"201.097"},{"Metabolite":"Allyl Isothiocyanate","m/z":"366.56"},{"Metabolite":"Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1à,2á,5à)-(ñ)-","m/z":"520.734"},{"Metabolite":"Hexane","m/z":"316.933"},{"Metabolite":"Phenol, 2,4-bis(1,1-dimethylethyl)-","m/z":"652.799"},{"Metabolite":"Phenol","m/z":"417.658"},{"Metabolite":"Propylamine","m/z":"200.803"},{"Metabolite":"Pyrrole","m/z":"292.414"},{"Metabolite":"4-pentenal, 2-methyl","m/z":"321.108"},{"Metabolite":"Benzaldehyde, 3,5-dimethyl-","m/z":"540.902"},{"Metabolite":"Benzene, (1-methylethyl)-","m/z":"429.182"},{"Metabolite":"Acetophenone","m/z":"469.284"},{"Metabolite":"Methyl Isobutyl Ketone","m/z":"287.239"},{"Metabolite":"1-Hexanol, 2-ethyl-","m/z":"443.353"},{"Metabolite":"2-Cyclohexen-1-one, 2-methyl-5-(1-methylethenyl)-, (S)-","m/z":"551.78"},{"Metabolite":"Benzene, (1-methyl-1-butenyl)-","m/z":"527.026"},{"Metabolite":"Benzene, (2-isothiocyanatoethyl)-","m/z":"643.92"},{"Metabolite":"benzoylformic acid","m/z":"481.75"},{"Metabolite":"Benzene, chloro-","m/z":"348.215"},{"Metabolite":"Cyclohexanone","m/z":"378.497"},{"Metabolite":"Cyclopropane, isothiocyanato-","m/z":"357.329"},{"Metabolite":"2-Cyclohexen-1-one, 3-methyl-6-(1-methylethyl)-","m/z":"557.19"},{"Metabolite":"2-Propenoic acid, 2-methyl-, 1,2-ethanediyl ester","m/z":"573.713"},{"Metabolite":"4-Carene, (1S,3R,6R)-(-)-","m/z":"461.522"},{"Metabolite":"Amylene Hydrate","m/z":"240.258"},{"Metabolite":"Benzaldehyde, 2,5-dimethyl-","m/z":"536.375"},{"Metabolite":"1-Octanol","m/z":"465.168"},{"Metabolite":"2,4,6-Octatrienal","m/z":"421.715"},{"Metabolite":"2-Cyclohexen-1-one, 3,5,5-trimethyl-","m/z":"496.214"},{"Metabolite":"5-Methyl-1-heptanol","m/z":"451.232"},{"Metabolite":"Propofol","m/z":"596.174"}]
}

}