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RCS-04-ortho-isomer-M (di-HO-) isomer 3 MS2

View entire compound with spectra: 1 MS (LC)

RCS-04-ortho-isomer-M (di-HO-) isomer 3 MS2
SpectraBase Compound ID JbzFHvedyXj
InChI InChI=1S/16C21H23NO4/c1-3-4-5-12-22-13-15(19-16(22)9-7-10-17(19)23)20(25)14-8-6-11-18(24)21(14)26-2;1-3-4-5-12-22-13-15(14-8-6-10-17(24)20(14)22)21(25)19-16(23)9-7-11-18(19)26-2;1-3-4-5-12-22-13-16(14-8-6-10-17(23)19(14)22)20(25)15-9-7-11-18(24)21(15)26-2;1-3-4-5-10-22-13-18(17-11-14(23)7-9-19(17)22)21(25)16-8-6-15(24)12-20(16)26-2;1-3-4-5-10-22-13-18(16-8-6-15(24)12-19(16)22)21(25)17-11-14(23)7-9-20(17)26-2;1-3-4-5-10-22-13-18(16-11-14(23)6-8-19(16)22)21(25)17-12-15(24)7-9-20(17)26-2;1-3-4-5-10-22-13-18(16-8-6-14(23)11-19(16)22)21(25)17-9-7-15(24)12-20(17)26-2;1-3-4-5-12-22-13-14(19-15(22)8-6-9-16(19)23)21(25)20-17(24)10-7-11-18(20)26-2;1-3-4-5-11-22-13-16(20-17(22)7-6-8-18(20)24)21(25)15-12-14(23)9-10-19(15)26-2;1-3-4-5-11-22-13-16(15-12-14(23)9-10-17(15)22)21(25)20-18(24)7-6-8-19(20)26-2;1-3-4-5-11-22-13-16(20-17(22)7-6-8-18(20)24)21(25)15-10-9-14(23)12-19(15)26-2;1-3-4-5-11-22-13-16(15-10-9-14(23)12-17(15)22)21(25)20-18(24)7-6-8-19(20)26-2;1-3-4-5-11-22-13-17(15-10-9-14(23)12-18(15)22)20(25)16-7-6-8-19(24)21(16)26-2;1-3-4-5-11-22-13-17(16-12-14(23)9-10-18(16)22)20(25)15-7-6-8-19(24)21(15)26-2;1-3-4-5-11-22-13-17(15-7-6-8-18(24)20(15)22)21(25)16-12-14(23)9-10-19(16)26-2;1-3-4-5-11-22-13-17(15-7-6-8-18(24)20(15)22)21(25)16-10-9-14(23)12-19(16)26-2/h3*6-11,13,23-24H,3-5,12H2,1-2H3;4*6-9,11-13,23-24H,3-5,10H2,1-2H3;6-11,13,23-24H,3-5,12H2,1-2H3;8*6-10,12-13,23-24H,3-5,11H2,1-2H3
InChIKey UVZYARRBUZLDCU-UHFFFAOYSA-N
Mol Weight 353.42 g/mol
Molecular Formula C21H23NO4
Exact Mass 353.162708 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9V2G9bczUdP
Name RCS-04-ortho-isomer-M (di-HO-) isomer 3 MS2
Comments F: ITMS + c ESI d w Full ms2 354.30
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Formula C21H23NO4
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