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Cyamemazine-M (nor-) MS3_1
SpectraBase Compound ID KpPfcylT1m1
InChI InChI=1S/C17H15N2S/c1-12(2)11-19-14-5-3-4-6-16(14)20-17-8-7-13(10-18)9-15(17)19/h3-9,12H,1,11H2,2H3/q+1
InChIKey MLYWJIIFACKJQM-UHFFFAOYSA-N
Mol Weight 279.38 g/mol
Molecular Formula C17H15N2S
Exact Mass 279.095595 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID KHUuYZzz4Zc
Name Cyamemazine-M (nor-) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-290.00]
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Formula C17H13N2S
InChI InChI=1S/C17H15N2S/c1-12(2)11-19-14-5-3-4-6-16(14)20-17-8-7-13(10-18)9-15(17)19/h3-9,12H,1,11H2,2H3/q+1
InChIKey MLYWJIIFACKJQM-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES [CH2+]C(CN1C2=C(SC3=C1C=CC=C3)C=CC(=C2)C#N)C
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