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Tilidine MS3_2
SpectraBase Compound ID FTX19yzALLt
InChI InChI=1S/C12H11/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8H,6,10H2/q+1
InChIKey KVJGKBXDSDSJSU-UHFFFAOYSA-N
Mol Weight 155.22 g/mol
Molecular Formula C12H11
Exact Mass 155.086075 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GprOi0irLHL
Name Tilidine-M (bis-nor-oxime-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-170.00]
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InChI InChI=1S/C12H11/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-5,7-8H,6,10H2/q+1
InChIKey KVJGKBXDSDSJSU-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [C+]=1C=CCCC1C1=CC=CC=C1
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