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Cocaine-M (HO-MO-BZE) ACTMS
SpectraBase Compound ID L4OSWyrsHYS
InChI InChI=1S/C22H31NO7Si/c1-13(24)28-17-10-7-14(11-18(17)27-3)21(25)29-19-12-15-8-9-16(23(15)2)20(19)22(26)30-31(4,5)6/h7,10-11,15-16,19-20H,8-9,12H2,1-6H3
InChIKey VJZUBTDZADJNFP-UHFFFAOYSA-N
Mol Weight 449.58 g/mol
Molecular Formula C22H31NO7Si
Exact Mass 449.186979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lr3YzcWcLYU
Name Cocaine-M (HO-MO-BZE) ACTMS
Classification Local anesthetic Addictive drug
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Exact Mass 449.186978870 u
Formula C22H31NO7Si
InChI InChI=1S/C22H31NO7Si/c1-13(24)28-17-10-7-14(11-18(17)27-3)21(25)29-19-12-15-8-9-16(23(15)2)20(19)22(26)30-31(4,5)6/h7,10-11,15-16,19-20H,8-9,12H2,1-6H3
InChIKey VJZUBTDZADJNFP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 449.575 g/mol
SMILES c1(C(OC2CC3N(C(C2C(O[Si](C)(C)C)=O)CC3)C)=O)ccc(OC(C)=O)c(c1)OC
SPLASH splash10-001l-9330100000-4549ce0f517711cd16fc
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 Cocaine-M (HO-methoxy-benzoylecgonine) ACTMS
Technique GC/MS
Wiley ID MMPW6e_6240