walker-database-client/csv/1.csv

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