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Ivabradine-M (dihydro-) MS2
SpectraBase Compound ID 73JGCoeJhCG
InChI InChI=1S/C27H38N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21,27,30H,6-11,15,17H2,1-5H3
InChIKey VKMIFICSSAFUDX-UHFFFAOYSA-N
Mol Weight 470.6 g/mol
Molecular Formula C27H38N2O5
Exact Mass 470.278072 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 9dBqqV6JORQ
Name Ivabradine-M (dihydro-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-500.00]
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Formula C27H38N2O5
InChI InChI=1S/C27H38N2O5/c1-28(17-21-11-20-14-25(33-4)26(34-5)16-22(20)21)8-6-9-29-10-7-18-12-23(31-2)24(32-3)13-19(18)15-27(29)30/h12-14,16,21,27,30H,6-11,15,17H2,1-5H3
InChIKey VKMIFICSSAFUDX-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC1CC2=C(C=C(C(=C2)OC)OC)CCN1CCCN(C)CC1C2=C(C1)C=C(C(=C2)OC)OC
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