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8-Methyl-8-azabicyclo[3.2.1]oct-3-yl hydroxy(phenyl)acetate
SpectraBase Compound ID Lx3IfC5VhAb
InChI InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
InChIKey ZTVIKZXZYLEVOL-UHFFFAOYSA-N
Mol Weight 275.35 g/mol
Molecular Formula C16H21NO3
Exact Mass 275.152144 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID BCOOpVod0rS
Name Homatropine MS2
CAS Registry Number 87-00-3
Comments F: ITMS + c ESI d w Full ms2 276.10
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Formula C16H21NO3
InChI InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3
InChIKey ZTVIKZXZYLEVOL-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(OC1CC2CCC(C1)N2C)=O)C=1C=CC=CC1
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: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS