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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 6FXlYBcxmmw
Name Homatropine
CAS Registry Number 87-00-3
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-300.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(C(OC1CC2CCC(C1)N2C)=O)C1=CC=CC=C1
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD