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Cocaine-M (methoxy-HO-ring) MS2

View entire compound with spectra: 3 MS (LC)

Cocaine-M (methoxy-HO-ring) MS2
SpectraBase Compound ID BBii0CPIZKM
InChI InChI=1S/20C18H23NO6/c2*1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-14(23-2)13(20)8-10;2*1-19-10-4-7-13(19)16(18(22)24-3)15(8-10)25-17(21)12-6-5-11(23-2)9-14(12)20;2*1-19-10-4-7-13(19)16(18(22)24-3)15(8-10)25-17(21)12-6-5-11(20)9-14(12)23-2;2*1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-13(20)14(8-10)23-2;2*1-19-10-4-6-13(19)16(18(22)24-3)15(8-10)25-17(21)12-9-11(23-2)5-7-14(12)20;2*1-19-10-4-6-13(19)16(18(22)24-3)15(8-10)25-17(21)12-9-11(20)5-7-14(12)23-2;2*1-19-11-4-5-14(19)16(18(22)24-3)15(8-11)25-17(21)10-6-12(20)9-13(7-10)23-2;2*1-19-10-7-8-11(19)15(17(21)24-3)14(9-10)25-18(22)16-12(20)5-4-6-13(16)23-2;2*1-19-10-7-8-12(19)15(18(22)24-3)14(9-10)25-17(21)11-5-4-6-13(23-2)16(11)20;2*1-19-10-7-8-12(19)15(18(22)24-3)14(9-10)25-17(21)11-5-4-6-13(20)16(11)23-2/h2*4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3;4*5-6,9-10,13,15-16,20H,4,7-8H2,1-3H3;2*4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3;4*5,7,9-10,13,15-16,20H,4,6,8H2,1-3H3;2*6-7,9,11,14-16,20H,4-5,8H2,1-3H3;2*4-6,10-11,14-15,20H,7-9H2,1-3H3;4*4-6,10,12,14-15,20H,7-9H2,1-3H3
InChIKey IVXLGVKVXZVYCB-UHFFFAOYSA-N
Mol Weight 349.38 g/mol
Molecular Formula C18H23NO6
Exact Mass 349.152537 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 93DZxuEUuxM
Name Cocaine-M (methoxy-HO-ring-glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C18H23NO6
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 ms3
Technique ITMS