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Irbesartan-M (oxo-) MS2
SpectraBase Compound ID EvD9Ifc6qr8
InChI InChI=1S/C25H26N6O2/c1-17(32)8-13-22-26-25(14-4-5-15-25)24(33)31(22)16-18-9-11-19(12-10-18)20-6-2-3-7-21(20)23-27-29-30-28-23/h2-3,6-7,9-12H,4-5,8,13-16H2,1H3,(H,27,28,29,30)
InChIKey MIGTZGLTQNODIS-UHFFFAOYSA-N
Mol Weight 442.52 g/mol
Molecular Formula C25H26N6O2
Exact Mass 442.211724 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 6g6BD3wWchg
Name Irbesartan-M (oxo-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-470.00]
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Formula C25H26N6O2
InChI InChI=1S/C25H26N6O2/c1-17(32)8-13-22-26-25(14-4-5-15-25)24(33)31(22)16-18-9-11-19(12-10-18)20-6-2-3-7-21(20)23-27-29-30-28-23/h2-3,6-7,9-12H,4-5,8,13-16H2,1H3,(H,27,28,29,30)
InChIKey MIGTZGLTQNODIS-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N1N=NN=C1C=1C(C=2C=CC(CN3C(CCC(C)=O)=NC4(C3=O)CCCC4)=CC2)=CC=CC1
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