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Phenibut MS3_1
SpectraBase Compound ID JaaHETSaTUi
InChI InChI=1S/C9H12N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1,7,10H2/q+1
InChIKey ZODTWIHQJMPDLP-UHFFFAOYSA-N
Mol Weight 134.2 g/mol
Molecular Formula C9H12N
Exact Mass 134.096974 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 8rohhF6oeqD
Name Phenibut MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-145.00]
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Formula C9H12N
InChI InChI=1S/C9H12N/c1-8(7-10)9-5-3-2-4-6-9/h2-6,8H,1,7,10H2/q+1
InChIKey ZODTWIHQJMPDLP-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES NCC([CH2+])C1=CC=CC=C1
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