MassBank Record: AU155204

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Norfentanyl; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
Mass Spectrum
Chemical Structure
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ACCESSION: AU155204
RECORD_TITLE: Norfentanyl; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+
DATE: 2015.12.07
AUTHORS: Nikiforos Alygizakis, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY-SA
COPYRIGHT: Copyright (C) 2015 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 1552

CH$NAME: Norfentanyl CH$NAME: N-phenyl-N-piperidin-4-ylpropanamide CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C14H20N2O CH$EXACT_MASS: 232.1575633 CH$SMILES: CCC(=O)N(c1ccccc1)C2CCNCC2 CH$IUPAC: InChI=1S/C14H20N2O/c1-2-14(17)16(12-6-4-3-5-7-12)13-8-10-15-11-9-13/h3-7,13,15H,2,8-11H2,1H3 CH$LINK: CAS 1609-66-1 CH$LINK: CHEBI 62685 CH$LINK: PUBCHEM CID:259381 CH$LINK: INCHIKEY PMCBDBWCQQBSRJ-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 227671 CH$LINK: COMPTOX DTXSID2057657
AC$INSTRUMENT: Bruker maXis Impact AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION ESI AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: RESOLUTION 35000 AC$CHROMATOGRAPHY: COLUMN_NAME Acclaim RSLC C18 2.2um, 2.1x100mm, Thermo AC$CHROMATOGRAPHY: FLOW_GRADIENT 99/1 at 0-1 min, 61/39 at 3 min, 0.1/99.9 at 14-16 min, 99/1 at 16.1-20 min AC$CHROMATOGRAPHY: FLOW_RATE 200 uL/min at 0-3 min, 400 uL/min at 14 min, 480 uL/min at 16-19 min, 200 uL/min at 19.1-20 min AC$CHROMATOGRAPHY: RETENTION_TIME 4.7 min AC$CHROMATOGRAPHY: SOLVENT A 90:10 water:methanol with 0.01% formic acid and 5mM ammonium formate AC$CHROMATOGRAPHY: SOLVENT B methanol with 0.01% formic acid and 5mM ammonium formate
MS$FOCUSED_ION: BASE_PEAK 233.1647 MS$FOCUSED_ION: PRECURSOR_M/Z 233.1648 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: REANALYZE Peaks with additional N2/O included MS$DATA_PROCESSING: WHOLE RMassBank 2.0.3
PK$SPLASH: splash10-0ue9-0900000000-172bf948c02a137b45d8 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 117.0571 C8H7N+ 1 117.0573 -1.31 120.0808 C8H10N+ 1 120.0808 0.54 132.0796 C9H10N+ 1 132.0808 -8.94 150.0904 C9H12NO+ 1 150.0913 -6.58 PK$NUM_PEAK: 4 PK$PEAK: m/z int. rel.int. 117.0571 404 109 120.0808 844 228 132.0796 2580 699 150.0904 3684 999 //