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Phenacetin MS3_1
SpectraBase Compound ID Jir3OsAb6Xz
InChI InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3/p+1
InChIKey IMPPGHMHELILKG-UHFFFAOYSA-O
Mol Weight 138.19 g/mol
Molecular Formula C8H12NO
Exact Mass 138.091889 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID IX38x0sRUX7
Name Phenacetin MS3_1
Comments T: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C8H11NO/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2,9H2,1H3/p+1
InChIKey IMPPGHMHELILKG-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH3+]C1=CC=C(C=C1)OCC
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