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Minaprine-M (HO-methoxy-deethylene-) MS2
SpectraBase Compound ID JZcG0jIGfDk
InChI InChI=1S/C16H22N4O3/c1-11-10-13(12-4-3-5-14(22)15(12)23-2)19-20-16(11)18-7-6-17-8-9-21/h3-5,10,17,21-22H,6-9H2,1-2H3,(H,18,20)
InChIKey SWNCBRMZNNEJPJ-UHFFFAOYSA-N
Mol Weight 318.38 g/mol
Molecular Formula C16H22N4O3
Exact Mass 318.169191 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8vnNdn2Wj3T
Name Minaprine-M (HO-methoxy-deethylene-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-345.00]
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Formula C16H22N4O3
InChI InChI=1S/C16H22N4O3/c1-11-10-13(12-4-3-5-14(22)15(12)23-2)19-20-16(11)18-7-6-17-8-9-21/h3-5,10,17,21-22H,6-9H2,1-2H3,(H,18,20)
InChIKey SWNCBRMZNNEJPJ-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C1=NN=C(C=2C=CC=C(C2OC)O)C=C1C)CCNCCO
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