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Scopolamine-M (HO-ring) MS3_1
SpectraBase Compound ID Ab37T27IOsf
InChI InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/p+1/t4?,5-,6+,7?,8?
InChIKey FIMXSEMBHGTNKT-UHFFFAOYSA-O
Mol Weight 156.2 g/mol
Molecular Formula C8H14NO2
Exact Mass 156.102454 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 49X9qa5YABa
Name Scopolamine-M (HO-ring) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C8H13NO2/c1-9-5-2-4(10)3-6(9)8-7(5)11-8/h4-8,10H,2-3H2,1H3/p+1/t4?,5-,6+,7?,8?
InChIKey FIMXSEMBHGTNKT-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [OH2+]C1C[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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS