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Azelastine MS3_1
SpectraBase Compound ID A2PQC5tVGwZ
InChI InChI=1S/C21H20ClN2O/c1-3-7-17(4-2)24-21(25)19-9-6-5-8-18(19)20(23-24)14-15-10-12-16(22)13-11-15/h3,5-6,8-13,17H,1-2,4,7,14H2/q+1
InChIKey GGOZQYKYNHUAHX-UHFFFAOYSA-N
Mol Weight 351.86 g/mol
Molecular Formula C21H20ClN2O
Exact Mass 351.126416 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8f15PFTXSC
Name Azelastine MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-365.00]
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InChI InChI=1S/C21H20ClN2O/c1-3-7-17(4-2)24-21(25)19-9-6-5-8-18(19)20(23-24)14-15-10-12-16(22)13-11-15/h3,5-6,8-13,17H,1-2,4,7,14H2/q+1
InChIKey GGOZQYKYNHUAHX-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES C=CCC(N1N=C(CC2=CC=C(C=C2)Cl)C2=C(C1=O)C=CC=C2)C[CH2+]
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS