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Cocaine-M (HO-) ME
SpectraBase Compound ID DQ7HGBtKjCA
InChI InChI=1S/C18H23NO5/c1-19-12-6-9-14(19)16(18(21)23-3)15(10-12)24-17(20)11-4-7-13(22-2)8-5-11/h4-5,7-8,12,14-16H,6,9-10H2,1-3H3
InChIKey NMNVKEDOAFBHAX-UHFFFAOYSA-N
Mol Weight 333.38 g/mol
Molecular Formula C18H23NO5
Exact Mass 333.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MSHBIbUM6
Name Cocaine-M (HO-) ME
Classification Local anesthetic Addictive drug
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 333.157622840 u
Formula C18H23NO5
InChI InChI=1S/C18H23NO5/c1-19-12-6-9-14(19)16(18(21)23-3)15(10-12)24-17(20)11-4-7-13(22-2)8-5-11/h4-5,7-8,12,14-16H,6,9-10H2,1-3H3
InChIKey NMNVKEDOAFBHAX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 333.384 g/mol
SMILES c1(ccc(cc1)OC)C(OC1CC2CCC(C1C(OC)=O)N2C)=O
SPLASH splash10-001i-9401000000-1591984b0844c37c91b9
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
Technique GC/MS
Wiley ID MMPW6e_470