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Amineptine-M (N-pentanoic acid) MS2
SpectraBase Compound ID EmWgfcAXPuA
InChI InChI=1S/C20H23NO2/c22-19(23)11-5-6-14-21-20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20-21H,5-6,11-14H2,(H,22,23)
InChIKey BIMPSIQDPGMDPH-UHFFFAOYSA-N
Mol Weight 309.41 g/mol
Molecular Formula C20H23NO2
Exact Mass 309.172879 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID DrhtnG86NcF
Name Amineptine-M (N-pentanoic acid)_neg
Collision Gas N2
Comments FTMS - p ESI d Full ms2 [email protected] [50.00-330.00]
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Formula C20H23NO2
InChI InChI=1S/C20H23NO2/c22-19(23)11-5-6-14-21-20-17-9-3-1-7-15(17)12-13-16-8-2-4-10-18(16)20/h1-4,7-10,20-21H,5-6,11-14H2,(H,22,23)
InChIKey BIMPSIQDPGMDPH-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity N
Ionization Type HESI
Precursor Ion [M-H]-
SMILES N(C1C=2C=CC=CC2CCC2=C1C=CC=C2)CCCCC(=O)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