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6-APB-M -H2O 3AC              @
SpectraBase Compound ID LGh9UAgJeOE
InChI InChI=1S/C17H21NO5/c1-6-15-16(22-12(4)20)8-14(7-10(2)18-11(3)19)9-17(15)23-13(5)21/h6,8-10H,1,7H2,2-5H3,(H,18,19)
InChIKey BRELUHMIPUHSSD-UHFFFAOYSA-N
Mol Weight 319.36 g/mol
Molecular Formula C17H21NO5
Exact Mass 319.141973 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzxLUUlqX12
Name 6-APB-M -H2O 3AC @
Classification Designer drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 319.141972775 u
Formula C17H21NO5
InChI InChI=1S/C17H21NO5/c1-6-15-16(22-12(4)20)8-14(7-10(2)18-11(3)19)9-17(15)23-13(5)21/h6,8-10H,1,7H2,2-5H3,(H,18,19)
InChIKey BRELUHMIPUHSSD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.357 g/mol
SMILES c1(CC(C)NC(C)=O)cc(c(c(c1)OC(C)=O)C=C)OC(C)=O
SPLASH splash10-00li-4931000000-9c66ccb820510c40a9ff
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms 6-APB-M (ring cleavage-di-HO-) -H2O 3AC 6-MAPB-M (ring cleavage-di-HO-nor-) -H2O 3AC
Technique GC/MS
Wiley ID MMPW6e_9224