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Fentanyl
SpectraBase Compound ID 2KrnHuCaQAx
InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKey PJMPHNIQZUBGLI-UHFFFAOYSA-N
Mol Weight 336.48 g/mol
Molecular Formula C22H28N2O
Exact Mass 336.220164 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 4Sp8BWWc3UD
Name Fentanyl
CAS Registry Number 437-38-7
Collision Energy 10 eV
Copyright Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved.
Exact Mass 336.220163529 u
Formula C22H28N2O
InChI InChI=1S/C22H28N2O/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19/h3-12,21H,2,13-18H2,1H3
InChIKey PJMPHNIQZUBGLI-UHFFFAOYSA-N
Instrument Name QStar XL, AB Sciex
Ion Polarity P
Ionization Type ESI+
Molecular Weight 336.479 g/mol
Nominal Mass 336 u
Precursor Ion [M+H]+
Precursor m/z 337.228
SMILES C(=O)(N(C1CCN(CC1)CCC1=CC=CC=C1)C1=CC=CC=C1)CC
Selected Ion Charge 1
Source of Spectrum Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria
Spectrum Type ms2
Synonyms N-phenyl-N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
Technique Q-TOF
Wiley ID MSforID_+_362.1