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Levallorphan MS3_1
SpectraBase Compound ID HwBvWrDsUjx
InChI InChI=1S/C16H19NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,18H,1-3,6-9H2/p+1/t13?,16-/m0/s1
InChIKey VJMDMFXDTULYHS-UHFFFAOYSA-O
Mol Weight 242.34 g/mol
Molecular Formula C16H20NO
Exact Mass 242.154489 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID FeNO3qXca6S
Name Levallorphan MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C16H19NO/c18-12-5-4-11-9-15-13-3-1-2-6-16(13,7-8-17-15)14(11)10-12/h4-5,10,13,18H,1-3,6-9H2/p+1/t13?,16-/m0/s1
InChIKey VJMDMFXDTULYHS-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH+]=1CC[C@@]23C=4C=C(C=CC4CC1C3CCCC2)O
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