MassBank Record: AU155205



 Norfentanyl; LC-ESI-QTOF; MS2; CE: 50 eV; R=35000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: AU155205
RECORD_TITLE: Norfentanyl; LC-ESI-QTOF; MS2; CE: 50 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 50 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$CHROMATOGRAPHY: RETENTION_TIME 4.6 min AC$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 233.1645 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: splash10-0f89-0900000000-4dbe3aa7aa26725f2384 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 130.0653 C9H8N+ 1 130.0651 1.18 132.0801 C9H10N+ 1 132.0808 -5.39 150.0897 C9H12NO+ 1 150.0913 -10.95 PK$NUM_PEAK: 3 PK$PEAK: m/z int. rel.int. 130.0653 404 741 132.0801 396 727 150.0897 544 999 //

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