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MDMB-CHMINACA-M (di-HO-) isomer 1 MS2

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MDMB-CHMINACA-M (di-HO-) isomer 1 MS2
SpectraBase Compound ID 1IL3wiXfqTE
InChI InChI=1S/12C22H31N3O5/c1-22(2,3)19(21(29)30-4)23-20(28)18-16-11-15(27)9-10-17(16)25(24-18)12-13-5-7-14(26)8-6-13;1-22(2,3)19(21(29)30-4)23-20(28)18-16-10-9-15(27)11-17(16)25(24-18)12-13-5-7-14(26)8-6-13;1-22(2,3)19(21(29)30-4)23-20(28)17-15-9-6-10-16(27)18(15)25(24-17)12-13-7-5-8-14(26)11-13;1-22(2,3)19(21(29)30-4)23-20(28)18-17-15(9-6-10-16(17)27)25(24-18)12-13-7-5-8-14(26)11-13;1-22(2,3)19(21(29)30-4)23-20(28)17-14-9-7-11-16(27)18(14)25(24-17)12-13-8-5-6-10-15(13)26;1-22(2,3)19(21(29)30-4)23-20(28)18-17-14(9-7-11-16(17)27)25(24-18)12-13-8-5-6-10-15(13)26;1-22(2,3)19(21(29)30-4)23-20(28)17-15-6-5-7-16(27)18(15)25(24-17)12-13-8-10-14(26)11-9-13;1-22(2,3)19(21(29)30-4)23-20(28)18-17-15(6-5-7-16(17)27)25(24-18)12-13-8-10-14(26)11-9-13;1-22(2,3)19(21(29)30-4)23-20(28)18-16-11-15(27)8-9-17(16)25(24-18)12-13-6-5-7-14(26)10-13;1-22(2,3)19(21(29)30-4)23-20(28)18-16-9-8-15(27)11-17(16)25(24-18)12-13-6-5-7-14(26)10-13;1-22(2,3)19(21(29)30-4)23-20(28)18-15-11-14(26)9-10-16(15)25(24-18)12-13-7-5-6-8-17(13)27;1-22(2,3)19(21(29)30-4)23-20(28)18-15-10-9-14(26)11-16(15)25(24-18)12-13-7-5-6-8-17(13)27/h2*9-11,13-14,19,26-27H,5-8,12H2,1-4H3,(H,23,28);2*6,9-10,13-14,19,26-27H,5,7-8,11-12H2,1-4H3,(H,23,28);2*7,9,11,13,15,19,26-27H,5-6,8,10,12H2,1-4H3,(H,23,28);2*5-7,13-14,19,26-27H,8-12H2,1-4H3,(H,23,28);2*8-9,11,13-14,19,26-27H,5-7,10,12H2,1-4H3,(H,23,28);2*9-11,13,17,19,26-27H,5-8,12H2,1-4H3,(H,23,28)
InChIKey RAZPVCZLCGIAHX-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C22H31N3O5
Exact Mass 417.226371 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6pKlQ4Nmsa
Name MDMB-CHMINACA-M (di-HO-) isomer 2 MS2
Comments F: ITMS + c ESI d w Full ms2 418.30
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C22H31N3O5
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