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Aminorex
SpectraBase Compound ID 2X2K98pGdEQ
InChI InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKey SYAKTDIEAPMBAL-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C9H10N2O
Exact Mass 162.079313 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8AyF9vvBkvY
Name Aminorex isomer-1
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-185.00]
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Formula C9H10N2O
InChI InChI=1S/C9H10N2O/c10-9-11-6-8(12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,10,11)
InChIKey SYAKTDIEAPMBAL-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC1=NCC(C=2C=CC=CC2)O1
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