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Azilsartan MS2
SpectraBase Compound ID Eikje2LV1NC
InChI InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChIKey KGSXMPPBFPAXLY-UHFFFAOYSA-N
Mol Weight 456.46 g/mol
Molecular Formula C25H20N4O5
Exact Mass 456.14337 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CfjKDquiFjI
Name Azilsartan_neg
CAS Registry Number 147403-03-0
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-480.00]
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Formula C25H20N4O5
InChI InChI=1S/C25H20N4O5/c1-2-33-24-26-20-9-5-8-19(23(30)31)21(20)29(24)14-15-10-12-16(13-11-15)17-6-3-4-7-18(17)22-27-25(32)34-28-22/h3-13H,2,14H2,1H3,(H,30,31)(H,27,28,32)
InChIKey KGSXMPPBFPAXLY-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES N1C(C2=C(C3=CC=C(CN4C5=C(C(=O)O)C=CC=C5N=C4OCC)C=C3)C=CC=C2)=NC(O1)=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