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Amlopidine-M (dehydro-) MS3_2
SpectraBase Compound ID JEuibjHbV2N
InChI InChI=1S/C16H12ClNO4/c1-8-12(15(19)20)14(10-6-4-5-7-11(10)17)13(9(2)18-8)16(21)22-3/h4-7H,1H2,2-3H3/p+1
InChIKey ZNQRFUNLVOMPKL-UHFFFAOYSA-O
Mol Weight 318.74 g/mol
Molecular Formula C16H13ClNO4
Exact Mass 318.053311 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID EAmSFbKvaQF
Name Amlopidine-M (dehydro-) MS3_2
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [75.00-330.00]
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InChI InChI=1S/C16H12ClNO4/c1-8-12(15(19)20)14(10-6-4-5-7-11(10)17)13(9(2)18-8)16(21)22-3/h4-7H,1H2,2-3H3/p+1
InChIKey ZNQRFUNLVOMPKL-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES OC(C=1C(=C(C(=NC1[CH2+])C)C(=O)OC)C1=C(Cl)C=CC=C1)=O
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: Metabolite
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms3
Technique ITMS