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,255.17492999999999,254.10924,255.17492999999999,254.10924,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,271.16925600000002,266.01203400000003,271.16925600000002,265.79999999999995,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,311.16176259999997,209.720112,311.16176259999997,209.720112,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,289.21620610000002,262.322382,289.21620610000002,262.322382,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,287.20055609999997,270.31010400000002,287.20055609999997,270.31010400000002,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,315.23185619999998,301.97775000000001,315.23185619999998,301.97775000000001,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,