{
"METABOLOMICS WORKBENCH":{"STUDY_ID":"ST000749","ANALYSIS_ID":"AN001175","VERSION":"1","CREATED_ON":"July 4, 2017, 1:18 pm"},

"PROJECT":{"PROJECT_TITLE":"Amniotic fluid metabolomics","PROJECT_TYPE":"MS analysis","PROJECT_SUMMARY":"Pregnant rats were exposed to phthalate (DEHP) or control via diet and amniotic fluid was collected from amnions of treated and untreated rats","INSTITUTE":"University of Michigan","DEPARTMENT":"Environmental Health","LABORATORY":"Loch-Caruso Lab","LAST_NAME":"Loch-Caruso","FIRST_NAME":"Rita","ADDRESS":"Ann Arbor, MI","EMAIL":"rlc@umich.edu","PHONE":"734-936-1256"},

"STUDY":{"STUDY_TITLE":"Rat amniotic fluid metabolomics","STUDY_TYPE":"MS analysis","STUDY_SUMMARY":"Pregnant rats were treated for 5 days with 100mg/kg/day DEHP or vehicle control (corn oil) via a wafer which the rats consumed orally. After the fifth treatment, rats were euthanized and uterine horns were dissected. Amniotic fluid was collected from the gestational sac via syringe and collected into 1.5mL tubes. Tubes were then stored at -80 celsius","INSTITUTE":"University of Michigan","DEPARTMENT":"Biomedical Research Core Facilities","LABORATORY":"Metabolomics core","LAST_NAME":"Kachman","FIRST_NAME":"Maureen","ADDRESS":"6300 Brehm Tower, 1000 Wall Street, Ann Arbor, MI 48105-5714","EMAIL":"mkachman@med.umich.edu","PHONE":"(734) 232-8175","NUM_GROUPS":"2","TOTAL_SUBJECTS":"2"},

"SUBJECT":{"SUBJECT_TYPE":"Rat","SUBJECT_SPECIES":"Rattus norvegicus","TAXONOMY_ID":"10114"},
"SUBJECT_SAMPLE_FACTORS":[
{
"Subject ID":"SU0016256",
"Sample ID":"S00026010",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0016256",
"Sample ID":"S00026011",
"Factors":{"Treatment":"Control"}
},
{
"Subject ID":"SU0016257",
"Sample ID":"S00026012",
"Factors":{"Treatment":"DEHP"}
},
{
"Subject ID":"SU0016257",
"Sample ID":"S00026013",
"Factors":{"Treatment":"DEHP"}
}
],
"COLLECTION":{"COLLECTION_SUMMARY":"-"},

"TREATMENT":{"TREATMENT_SUMMARY":"-"},

"SAMPLEPREP":{"SAMPLEPREP_SUMMARY":"-","SAMPLEPREP_PROTOCOL_FILENAME":"A003 - Untargeted Metabolomics.pdf"},

"CHROMATOGRAPHY":{"CHROMATOGRAPHY_TYPE":"Reversed phase","INSTRUMENT_NAME":"Agilent","COLUMN_NAME":"Waters Acquity HSS T3 (50 x 2.1mm, 1.8um)"},

"ANALYSIS":{"ANALYSIS_TYPE":"MS","ANALYSIS_PROTOCOL_FILE":"A003 - Untargeted Metabolomics.pdf"},

"MS":{"MS_COMMENTS":"-","INSTRUMENT_NAME":"Agilent 6530 QTOF","INSTRUMENT_TYPE":"QTOF","MS_TYPE":"ESI","ION_MODE":"NEGATIVE"},

"MS_METABOLITE_DATA":{
"Units":"peak area",

"Data":[{"Metabolite":"1-METHYLADENOSINE (M+CL)-","S00026010":"2215.2122","S00026011":"2973.5007","S00026012":"2238.6082","S00026013":"2965.3179"},{"Metabolite":"16:0 LYSO PC (M+CL)-","S00026010":"12399.976","S00026011":"33248.56","S00026012":"28443.46","S00026013":"25921.172"},{"Metabolite":"16:0-18:0 PC (M+CL)-","S00026010":"12125.471","S00026011":"20490.023","S00026012":"15518.594","S00026013":"14839.021"},{"Metabolite":"18:0 LYSO-PE (M-H)-","S00026010":"18525.955","S00026011":"50007.645","S00026012":"34315.45","S00026013":"23735.3"},{"Metabolite":"2-DEOXY-D-GLUCOSE (M+CL)-","S00026010":"123558.84","S00026011":"142520.62","S00026012":"134175.44","S00026013":"119824.5"},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID (M-H)-","S00026010":"178030.58","S00026011":"176966.22","S00026012":"176469.84","S00026013":"196870.16"},{"Metabolite":"2-METHYLMALEIC ACID #2 (M-H)-","S00026010":"46802.715","S00026011":"59766.945","S00026012":"63363.68","S00026013":"58841.594"},{"Metabolite":"24:0 SM (D18:1/24:0) (M+CL)-","S00026010":"27184.557","S00026011":"26328.906","S00026012":"27512.3","S00026013":"30333.83"},{"Metabolite":"3-(4-HYDROXYPHENYL)LACTIC ACID (M-H)-","S00026010":"44495.977","S00026011":"72456.61","S00026012":"54197.246","S00026013":"67149.69"},{"Metabolite":"3-HYDROXY-3-METHYLGLUTARIC ACID (M-H)-","S00026010":"311364.22","S00026011":"485938","S00026012":"418890.38","S00026013":"432543.97"},{"Metabolite":"3-METHYL-2-OXOPENTANOIC ACID (M-H)-","S00026010":"750523.8","S00026011":"683631.6","S00026012":"904172.4","S00026013":"1169471.4"},{"Metabolite":"3-UREIDOPROPIONIC ACID (M-H)-","S00026010":"28027.895","S00026011":"30850.555","S00026012":"41592.805","S00026013":"32626.176"},{"Metabolite":"4-ACETAMIDOBUTANOIC ACID (M-H)-","S00026010":"31929.328","S00026011":"51885.863","S00026012":"41035.207","S00026013":"36904.79"},{"Metabolite":"4-HYDROXYBENZOIC ACID 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"Metabolites":[{"Metabolite":"1-METHYLADENOSINE (M+CL)-","moverz_quant":"281.1132","ri":"2.992","ri_type":"","pubchem_id":"27476","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0 LYSO PC (M+CL)-","moverz_quant":"495.3334","ri":"22.265","ri_type":"","pubchem_id":"460602","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"16:0-18:0 PC (M+CL)-","moverz_quant":"761.5963","ri":"25.507","ri_type":"","pubchem_id":"18631368","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"18:0 LYSO-PE (M-H)-","moverz_quant":"481.3182","ri":"22.655","ri_type":"","pubchem_id":"9547068","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-DEOXY-D-GLUCOSE (M+CL)-","moverz_quant":"164.0687","ri":"0.679","ri_type":"","pubchem_id":"439268","inchi_key":"","kegg_id":"","other_id":"","other_id_type":""},{"Metabolite":"2-HYDROXY-3-METHYLBUTYRIC ACID 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}

}