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Scopolamine-M (-H2O) MS3_1
SpectraBase Compound ID AID2A1un2Wh
InChI InChI=1S/C8H12NO/c1-9-5-3-2-4-6(9)8-7(5)10-8/h2,5-8H,3-4H2,1H3/q+1/t5-,6+,7?,8?
InChIKey BFLQQAGFUMQRSQ-UHFFFAOYSA-N
Mol Weight 138.19 g/mol
Molecular Formula C8H12NO
Exact Mass 138.091889 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JfZRfOqwgwv
Name Butylscopolamine MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C8H12NO/c1-9-5-3-2-4-6(9)8-7(5)10-8/h2,5-8H,3-4H2,1H3/q+1/t5-,6+,7?,8?
InChIKey BFLQQAGFUMQRSQ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH+]1C[C@@]2(N([C@](C1)(C1C2O1)[H])C)[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