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Valsartan-M (HO-) MS2
SpectraBase Compound ID Hmw2QXMmhw1
InChI InChI=1S/C24H29N5O4/c1-4-18(30)13-21(31)29(22(15(2)3)24(32)33)14-16-9-11-17(12-10-16)19-7-5-6-8-20(19)23-25-27-28-26-23/h5-12,15,18,22,30H,4,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)
InChIKey PAVLQSDRWLLGIH-UHFFFAOYSA-N
Mol Weight 451.53 g/mol
Molecular Formula C24H29N5O4
Exact Mass 451.221954 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID ET8FuCnYBX5
Name Valsartan-M (HO-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-480.00]
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Formula C24H29N5O4
InChI InChI=1S/C24H29N5O4/c1-4-18(30)13-21(31)29(22(15(2)3)24(32)33)14-16-9-11-17(12-10-16)19-7-5-6-8-20(19)23-25-27-28-26-23/h5-12,15,18,22,30H,4,13-14H2,1-3H3,(H,32,33)(H,25,26,27,28)
InChIKey PAVLQSDRWLLGIH-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=C1C1=C(C2=CC=C(CN(C(CC(CC)O)=O)C(C(=O)O)C(C)C)C=C2)C=CC=C1
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