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Xylometazoline-M (HO-) MS2
SpectraBase Compound ID AaKLOtlxZnE
InChI InChI=1S/C16H24N2O/c1-11-7-13(16(3,4)10-19)8-12(2)14(11)9-15-17-5-6-18-15/h7-8,19H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKey NAYQLZCMNJXDPJ-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C16H24N2O
Exact Mass 260.188863 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8sdZyLRAy8w
Name Xylometazoline-M (HO-) MS2
Comments T: ITMS + c ESI d w Full ms2 [email protected] [60.00-275.00]
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Formula C16H24N2O
InChI InChI=1S/C16H24N2O/c1-11-7-13(16(3,4)10-19)8-12(2)14(11)9-15-17-5-6-18-15/h7-8,19H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKey NAYQLZCMNJXDPJ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OCC(C=1C=C(C(CC=2NCCN2)=C(C1)C)C)(C)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 ms2
Technique ITMS