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Isofentanyl (3-methyl-)-M (nor-HO-aryl) MS3_2
SpectraBase Compound ID 6XzBpu3GMWv
InChI InChI=1S/C6H12N/c1-6-3-2-4-7-5-6/h3,6-7H,2,4-5H2,1H3/q+1
InChIKey RTRFEOBLFUVXEK-UHFFFAOYSA-N
Mol Weight 98.17 g/mol
Molecular Formula C6H12N
Exact Mass 98.096974 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID LM9wNnV8Xr6
Name Isofentanyl (3-methyl-)-M (nor-HO-aryl) MS3_2
Copyright Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved.
InChI InChI=1S/C6H12N/c1-6-3-2-4-7-5-6/h3,6-7H,2,4-5H2,1H3/q+1
InChIKey RTRFEOBLFUVXEK-UHFFFAOYSA-N
SMILES N1CC([CH+]CC1)C
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
Technique ITMS