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Ranolazine MS3_1
SpectraBase Compound ID BLVYRQUjnl3
InChI InChI=1S/C15H23N2O3/c1-16-7-9-17(10-8-16)11-13(18)12-20-15-6-4-3-5-14(15)19-2/h3-6,13,18H,1,7-12H2,2H3/q+1
InChIKey WQDGWZKLTUAKHB-UHFFFAOYSA-N
Mol Weight 279.36 g/mol
Molecular Formula C15H23N2O3
Exact Mass 279.170868 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID G6wXyrOJMtA
Name Ranolazine-M (HO-aryl- ) isomer 2 MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-290.00]
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InChI InChI=1S/C15H23N2O3/c1-16-7-9-17(10-8-16)11-13(18)12-20-15-6-4-3-5-14(15)19-2/h3-6,13,18H,1,7-12H2,2H3/q+1
InChIKey WQDGWZKLTUAKHB-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(CN1CCN([CH2+])CC1)COC1=C(C=CC=C1)OC
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