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Lacidipine artifact (354) MS2
SpectraBase Compound ID IuMws8hvwM8
InChI InChI=1S/C20H19NO5/c1-4-26-20(25)18-13(3)21-12(2)16(11-22)19(18)15-7-5-6-14(10-15)8-9-17(23)24/h5-10,19H,4H2,1-3H3,(H-,21,23,24,25)/p+1/b9-8+
InChIKey HXAXZHGMBVHWQI-CMDGGOBGSA-O
Mol Weight 354.38 g/mol
Molecular Formula C20H20NO5
Exact Mass 354.134148 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HVA4pxWX7mm
Name Lacidipine artifact (354)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-380.00]
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Formula C20H19NO5
InChI InChI=1S/C20H19NO5/c1-4-26-20(25)18-13(3)21-12(2)16(11-22)19(18)15-7-5-6-14(10-15)8-9-17(23)24/h5-10,19H,4H2,1-3H3,(H-,21,23,24,25)/p+1/b9-8+
InChIKey HXAXZHGMBVHWQI-CMDGGOBGSA-O
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES OC(\C=C\C=1C=C(C2C(=C(N[C+](C2=C=O)C)C)C(=O)OCC)C=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