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Isofentanyl (3-methyl-)-M (nor-HO-aryl) MS3_1
SpectraBase Compound ID ebxMeSx0eH
InChI InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)/p+1
InChIKey SSMYTAQHMUHRSK-UHFFFAOYSA-O
Mol Weight 166.2 g/mol
Molecular Formula C9H12NO2
Exact Mass 166.086804 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JHo8O6f7G6a
Name Isofentanyl (3-methyl-)-M (nor-HO-aryl) MS3_1
Comments F: ITMS + c ESI d w Full ms3 [email protected] [email protected]
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InChI InChI=1S/C9H11NO2/c1-2-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)/p+1
InChIKey SSMYTAQHMUHRSK-UHFFFAOYSA-O
Ion Polarity P
Ionization Type ESI
SMILES [NH2+](C(CC)=O)C1=CC=C(C=C1)O
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 ms3
Technique ITMS