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Ranolazine MS2
SpectraBase Compound ID 5HDaICPNett
InChI InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey XKLMZUWKNUAPSZ-UHFFFAOYSA-N
Mol Weight 427.5 g/mol
Molecular Formula C24H33N3O4
Exact Mass 427.247107 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID GXdRRMD0gbz
Name Ranolazine-M (glucuronide) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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Formula C24H33N3O4
InChI InChI=1S/C24H33N3O4/c1-18-7-6-8-19(2)24(18)25-23(29)16-27-13-11-26(12-14-27)15-20(28)17-31-22-10-5-4-9-21(22)30-3/h4-10,20,28H,11-17H2,1-3H3,(H,25,29)
InChIKey XKLMZUWKNUAPSZ-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES N(C1=C(C=CC=C1C)C)C(CN1CCN(CC(COC2=C(C=CC=C2)OC)O)CC1)=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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS