STS-135-M (di-HO-) isomer 1 MS2

SpectraBase Compound ID	LS8FE1lcu42
InChI	InChI=1S/8C24H31FN2O3/c25-7-2-1-3-8-27-14-18(21-19(27)5-4-6-20(21)28)23(30)26-24-12-15-9-16(13-24)11-17(10-15)22(24)29;25-7-2-1-3-8-27-14-19(18-5-4-6-20(28)21(18)27)23(30)26-24-12-15-9-16(13-24)11-17(10-15)22(24)29;25-7-2-1-3-8-27-14-18(21-19(27)5-4-6-20(21)28)23(30)26-24-11-15-9-16(12-24)22(29)17(10-15)13-24;25-7-2-1-3-8-27-14-19(18-5-4-6-20(28)21(18)27)23(30)26-24-11-15-9-16(12-24)22(29)17(10-15)13-24;25-6-2-1-3-7-27-14-20(19-11-18(28)4-5-21(19)27)23(30)26-24-12-15-8-16(13-24)10-17(9-15)22(24)29;25-6-2-1-3-7-27-14-20(19-5-4-18(28)11-21(19)27)23(30)26-24-12-15-8-16(13-24)10-17(9-15)22(24)29;25-6-2-1-3-7-27-14-20(19-10-18(28)4-5-21(19)27)23(30)26-24-11-15-8-16(12-24)22(29)17(9-15)13-24;25-6-2-1-3-7-27-14-20(19-5-4-18(28)10-21(19)27)23(30)26-24-11-15-8-16(12-24)22(29)17(9-15)13-24/h44-6,14-17,22,28-29H,1-3,7-13H2,(H,26,30);24-5,11,14-17,22,28-29H,1-3,6-10,12-13H2,(H,26,30);24-5,10,14-17,22,28-29H,1-3,6-9,11-13H2,(H,26,30)/t215-,16?,17?,22?,24?;215?,16-,17?,22?,24?;215-,16?,17?,22?,24?;2*15?,16-,17?,22?,24?/m11001100/s1
InChIKey	JPQBBSLOERKXDB-IHIVRKMJSA-N Google Search
Mol Weight	414.52 g/mol
Molecular Formula	C24H31FN2O3
Exact Mass	414.231871 g/mol

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SpectraBase Spectrum ID	4DuIBrFXGsh
Name	STS-135-M (di-HO-) isomer 1 MS2
Comments	F: ITMS + c ESI d w Full ms2 415.30
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Formula	C24H31FN2O3
Ion Polarity	P
Ionization Type	ESI
Sample Comments	The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description	Analyte Type: Metabolite
Source of Spectrum	Maurer/Wissenbach/Weber, Saarland University
Spectrum Type	ms2
Technique	ITMS