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["Number","Chemical_DB_ID","Library","Mix_ID","Metabolite_Name","MolecularFormula","MonoisotopicMass","PubChem_CID","Pubmed_ref_count","Standard_class","Processed","InChiKey","InChiKey14","C18pos.pred_mz","C18pos.rt","C18pos.Final_mz","C18pos.Final_rt","C18pos.Final_adduct","C18pos.adduct","C18pos.number_adducts_detected","C18pos.detected_adducts","C18pos.Adduct_Calc_mz","C18pos.peak_area","C18pos.mass_error","C18pos.MSMS_detected","C18pos.MSMS_collected","C18pos.MSMS_purity","C18pos.flags"]
[1,"HRELC_00826","Steroid_Hormones","Steroid_Hormones_01","17-beta Estradiol","C18H24O2",272.17763000399998,5757,35343,"Steroid_Hormones","5/1/22","VOXZDWNPVJITMN-ZBRFXRBCSA-N","VOXZDWNPVJITMN",255.17492999999999,254.10924,{"$f":"N2","v":255.17492999999999},{"$f":"O2","v":254.10924},{"$f":"S2","v":"M+H-H2O"},"M+H-H2O",3,"M+H-H2O; M+H; M+ACN+H","255.1754  273.1849  314.2115",2904640,-1.22,"Yes","MSMS added to .msp file",0.96099999999999997,"Peaks with two rt present; "]
[2,"HRELC_00827","Steroid_Hormones","Steroid_Hormones_02","Estrone","C18H22O2",270.16197993999998,5870,3453,"Steroid_Hormones","5/1/22","DNXHEGUUPJUMQT-CBZIJGRNSA-N","DNXHEGUUPJUMQT",271.16925600000002,266.01203400000003,{"$f":"N3","v":271.16925600000002},{"$f":"4.43*60","v":265.79999999999995},{"$f":"S3","v":"M+H"},"M+H",5,"M+H; M+H-H2O; M+NH4; M+Na; M+ACN+H","271.1693  253.1598  288.1958  293.1512  312.1958",3126439,1.93,"Yes","MSMS added to .msp file",0.995,"Peaks with two rt present; "]
[3,"HRELC_00828","Steroid_Hormones","Steroid_Hormones_03","Estriol","C18H24O3",288.17254462,5756,1318,"Steroid_Hormones","5/1/22","PROQIPRRNZUXQM-ZXXIGWHRSA-N","PROQIPRRNZUXQM",311.16176259999997,209.720112,{"$f":"N4","v":311.16176259999997},{"$f":"O4","v":209.720112},{"$f":"S4","v":"M+Na"},"M+Na",4,"M+Na; M+NH4; M+H-H2O; M+ACN+H","311.1618  306.2064  271.1704  330.2064",2017109.625,1.18,"Yes","MSMS added to .msp file",1,"M+H not detected; Peaks with two rt present; "]
[4,"HRELC_00829","Steroid_Hormones","Steroid_Hormones_04","Testosterone","C19H28O2",288.20893013199998,6013,28070,"Steroid_Hormones","5/1/22","MUMGGOZAMZWBJJ-DYKIIFRCSA-N","MUMGGOZAMZWBJJ",289.21620610000002,262.322382,{"$f":"N5","v":289.21620610000002},{"$f":"O5","v":262.322382},{"$f":"S5","v":"M+H"},"M+H",3,"M+H; M+ACN+H; M+H-H2O","289.2162  330.2428  271.2067",1990489600,0.18,"Yes","MSMS added to .msp file",1,"Peaks with two rt present; "]
[5,"HRELC_00830","Steroid_Hormones","Steroid_Hormones_05","Androstenedione","C19H26O2",286.19328006799998,6128,3043,"Steroid_Hormones","5/1/22","AEMFNILZOJDQLW-QAGGRKNESA-N","AEMFNILZOJDQLW",287.20055609999997,270.31010400000002,{"$f":"N6","v":287.20055609999997},{"$f":"O6","v":270.31010400000002},{"$f":"S6","v":"M+H"},"M+H",4,"M+H; M+ACN+H; M+H-H2O; M+NH4","287.2006  328.2271  269.1911  304.2271",1591749760,0.32,"Yes","MSMS added to .msp file",1,"Peaks with two rt present; "]
[6,"HRELC_00831","Steroid_Hormones","Steroid_Hormones_06","Progesterone","C21H30O2",314.22458019499999,5994,30867,"Steroid_Hormones","5/1/22","RJKFOVLPORLFTN-LEKSSAKUSA-N","RJKFOVLPORLFTN",315.23185619999998,301.97775000000001,{"$f":"N7","v":315.23185619999998},{"$f":"O7","v":301.97775000000001},{"$f":"S7","v":"M+H"},"M+H",2,"M+H; M+ACN+H","315.2319  356.2584 ",2411277568,-0.14000000000000001,"Yes","MSMS added to .msp file",0.997]