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6-APB-M (ring cleavage-HO-) MS2
SpectraBase Compound ID JWN1aH5te4o
InChI InChI=1S/C11H17NO2/c1-8(12)6-9-2-3-10(4-5-13)11(14)7-9/h2-3,7-8,13-14H,4-6,12H2,1H3
InChIKey ZWPLCCVVKJJISO-UHFFFAOYSA-N
Mol Weight 195.26 g/mol
Molecular Formula C11H17NO2
Exact Mass 195.125929 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7fFjREULDs
Name 6-APB-M (ring cleavage-HO-) MS2
Comments F: ITMS + c ESI d w Full ms2 196.10
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Formula C11H17NO2
InChI InChI=1S/C11H17NO2/c1-8(12)6-9-2-3-10(4-5-13)11(14)7-9/h2-3,7-8,13-14H,4-6,12H2,1H3
InChIKey ZWPLCCVVKJJISO-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC=1C=C(CC(C)N)C=CC1CCO
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 ms2
Technique ITMS