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MDMB-CHMINACA-M (di-HO-) isomer 1 MS3_1

View entire compound with spectra: 6 MS (LC)

MDMB-CHMINACA-M (di-HO-) isomer 1 MS3_1
SpectraBase Compound ID 3XSzK5uRE4W
InChI InChI=1S/12C20H27N3O3/c1-20(2,3)12-21-19(26)18-16-10-15(25)8-9-17(16)23(22-18)11-13-4-6-14(24)7-5-13;1-20(2,3)12-21-19(26)18-16-9-8-15(25)10-17(16)23(22-18)11-13-4-6-14(24)7-5-13;1-20(2,3)12-21-19(26)17-15-8-5-9-16(25)18(15)23(22-17)11-13-6-4-7-14(24)10-13;1-20(2,3)12-21-19(26)18-17-15(8-5-9-16(17)25)23(22-18)11-13-6-4-7-14(24)10-13;1-20(2,3)12-21-19(26)17-14-8-6-10-16(25)18(14)23(22-17)11-13-7-4-5-9-15(13)24;1-20(2,3)12-21-19(26)18-17-14(8-6-10-16(17)25)23(22-18)11-13-7-4-5-9-15(13)24;1-20(2,3)12-21-19(26)17-15-5-4-6-16(25)18(15)23(22-17)11-13-7-9-14(24)10-8-13;1-20(2,3)12-21-19(26)18-17-15(5-4-6-16(17)25)23(22-18)11-13-7-9-14(24)10-8-13;1-20(2,3)12-21-19(26)18-16-10-15(25)7-8-17(16)23(22-18)11-13-5-4-6-14(24)9-13;1-20(2,3)12-21-19(26)18-16-8-7-15(25)10-17(16)23(22-18)11-13-5-4-6-14(24)9-13;1-20(2,3)12-21-19(26)18-15-10-14(24)8-9-16(15)23(22-18)11-13-6-4-5-7-17(13)25;1-20(2,3)12-21-19(26)18-15-9-8-14(24)10-16(15)23(22-18)11-13-6-4-5-7-17(13)25/h8-10,12-14,24H,4-7,11H2,1-3H3,(H-,21,25,26);8-10,12-14,24H,4-7,11H2,1-3H3,(H-,21,22,25,26);5,8-9,12-14,24H,4,6-7,10-11H2,1-3H3,(H-,21,25,26);5,8-9,12-14,24H,4,6-7,10-11H2,1-3H3,(H-,21,22,25,26);6,8,10,12-13,15,24H,4-5,7,9,11H2,1-3H3,(H-,21,25,26);6,8,10,12-13,15,24H,4-5,7,9,11H2,1-3H3,(H-,21,22,25,26);4-6,12-14,24H,7-11H2,1-3H3,(H-,21,25,26);4-6,12-14,24H,7-11H2,1-3H3,(H-,21,22,25,26);7-8,10,12-14,24H,4-6,9,11H2,1-3H3,(H-,21,25,26);7-8,10,12-14,24H,4-6,9,11H2,1-3H3,(H-,21,22,25,26);8-10,12-13,17,25H,4-7,11H2,1-3H3,(H-,21,24,26);8-10,12-13,17,25H,4-7,11H2,1-3H3,(H-,21,22,24,26)/p+12
InChIKey BVDCCYQWIQIGOG-UHFFFAOYSA-Z
Mol Weight 358.46 g/mol
Molecular Formula C20H28N3O3
Exact Mass 358.213067 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7TClZmF2YjQ
Name MDMB-CHMINACA-M (di-HO-) isomer 1 MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-370.00]
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C20H28N3O3
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