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Scopolamine AC                @
SpectraBase Compound ID DwYx06J4snF
InChI InChI=1S/C19H23NO5/c1-11(21)23-10-14(12-6-4-3-5-7-12)19(22)24-13-8-15-17-18(25-17)16(9-13)20(15)2/h3-7,13-18H,8-10H2,1-2H3
InChIKey MSHGLMJGKAVEEA-UHFFFAOYSA-N
Mol Weight 345.4 g/mol
Molecular Formula C19H23NO5
Exact Mass 345.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NRAR1pcCea
Name Scopolamine AC @
Classification Anticholinergic
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Exact Mass 345.157622840 u
Formula C19H23NO5
InChI InChI=1S/C19H23NO5/c1-11(21)23-10-14(12-6-4-3-5-7-12)19(22)24-13-8-15-17-18(25-17)16(9-13)20(15)2/h3-7,13-18H,8-10H2,1-2H3
InChIKey MSHGLMJGKAVEEA-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 345.395 g/mol
SMILES C12N(C(CC(C2)OC(C(c2ccccc2)COC(=O)C)=O)C2C1O2)C
SPLASH splash10-000l-9700000000-4eed31cfe9694453ca04
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.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Butylscopolaminium bromide-M/artifact (scopolamine) AC
Technique GC/MS
Wiley ID MMPW6e_1526