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Butylscopolamine-M (HO-aryl) MS3_1
SpectraBase Compound ID H8rx5x06bHl
InChI InChI=1S/C12H20NO/c1-3-4-9-13(2)10-7-5-6-8-11-12(10)14-11/h5-6,8,10-12H,3-4,7,9H2,1-2H3/q+1/t10-,11?,12?/m1/s1
InChIKey CFCRUAWYDJKKTR-UHFFFAOYSA-N
Mol Weight 194.3 g/mol
Molecular Formula C12H20NO
Exact Mass 194.154489 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Lo9z0ecp1g0
Name Butylscopolamine MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00]
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InChI InChI=1S/C12H20NO/c1-3-4-9-13(2)10-7-5-6-8-11-12(10)14-11/h5-6,8,10-12H,3-4,7,9H2,1-2H3/q+1/t10-,11?,12?/m1/s1
InChIKey CFCRUAWYDJKKTR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C1=C[CH+]C2OC2[C@@](C1)(N(C)CCCC)[H]
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 ms3
Technique ITMS