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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 ErjS0ffjWb3
Name Ranolazine
CAS Registry Number 95635-55-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-455.00]
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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
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C1=C(C=CC=C1C)C)C(CN1CCN(CC(COC2=C(C=CC=C2)OC)O)CC1)=O
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD