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ADBICA-M (di-HO-)

View entire compound with spectra: 5 MS (LC)

ADBICA-M (di-HO-)
SpectraBase Compound ID 4E2jL5IJaiI
InChI InChI=1S/12C21H30N4O4/c1-21(2,3)18(19(22)28)23-20(29)17-15-10-14(27)8-9-16(15)25(24-17)11-12-4-6-13(26)7-5-12;1-21(2,3)18(19(22)28)23-20(29)17-15-9-8-14(27)10-16(15)25(24-17)11-12-4-6-13(26)7-5-12;1-21(2,3)18(19(22)28)23-20(29)16-14-8-5-9-15(27)17(14)25(24-16)11-12-6-4-7-13(26)10-12;1-21(2,3)18(19(22)28)23-20(29)17-16-14(8-5-9-15(16)27)25(24-17)11-12-6-4-7-13(26)10-12;1-21(2,3)18(19(22)28)23-20(29)16-13-8-6-10-15(27)17(13)25(24-16)11-12-7-4-5-9-14(12)26;1-21(2,3)18(19(22)28)23-20(29)17-16-13(8-6-10-15(16)27)25(24-17)11-12-7-4-5-9-14(12)26;1-21(2,3)18(19(22)28)23-20(29)16-14-5-4-6-15(27)17(14)25(24-16)11-12-7-9-13(26)10-8-12;1-21(2,3)18(19(22)28)23-20(29)17-16-14(5-4-6-15(16)27)25(24-17)11-12-7-9-13(26)10-8-12;1-21(2,3)18(19(22)28)23-20(29)17-15-10-14(27)7-8-16(15)25(24-17)11-12-5-4-6-13(26)9-12;1-21(2,3)18(19(22)28)23-20(29)17-15-8-7-14(27)10-16(15)25(24-17)11-12-5-4-6-13(26)9-12;1-21(2,3)18(19(22)28)23-20(29)17-14-10-13(26)8-9-15(14)25(24-17)11-12-6-4-5-7-16(12)27;1-21(2,3)18(19(22)28)23-20(29)17-14-9-8-13(26)10-15(14)25(24-17)11-12-6-4-5-7-16(12)27/h2*8-10,12-13,18,26-27H,4-7,11H2,1-3H3,(H2,22,28)(H,23,29);2*5,8-9,12-13,18,26-27H,4,6-7,10-11H2,1-3H3,(H2,22,28)(H,23,29);2*6,8,10,12,14,18,26-27H,4-5,7,9,11H2,1-3H3,(H2,22,28)(H,23,29);2*4-6,12-13,18,26-27H,7-11H2,1-3H3,(H2,22,28)(H,23,29);2*7-8,10,12-13,18,26-27H,4-6,9,11H2,1-3H3,(H2,22,28)(H,23,29);2*8-10,12,16,18,26-27H,4-7,11H2,1-3H3,(H2,22,28)(H,23,29)
InChIKey ZBVBFDINWRAGGM-UHFFFAOYSA-N
Mol Weight 402.49 g/mol
Molecular Formula C21H30N4O4
Exact Mass 402.226705 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5ybKxwvDRAz
Name MAB-CHMINACA-M (di-HO-) isomer 3 MS2
Comments F: ITMS + c ESI d w Full ms2 403.10
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C21H30N4O4
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