MassBank Record: AU249001



 2,2,6,6-Tetramethyl-4 piperidone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: AU249001
RECORD_TITLE: 2,2,6,6-Tetramethyl-4 piperidone; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+
DATE: 2019.04.05
AUTHORS: , Nikiforos Alygizakis, Katerina Galani, Nikolaos Thomaidis, University of Athens
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019 Department of Chemistry, University of Athens
COMMENT: CONFIDENCE standard compound
COMMENT: INTERNAL_ID 2490

CH$NAME: 2,2,6,6-Tetramethyl-4 piperidone CH$NAME: 4-Piperidinone, 2,2,6,6-tetramethyl- CH$NAME: 2,2,6,6-tetramethylpiperidin-4-one CH$COMPOUND_CLASS: N/A; Environmental Standard CH$FORMULA: C9H17NO CH$EXACT_MASS: 155.1310142 CH$SMILES: CC1(C)CC(=O)CC(C)(C)N1 CH$IUPAC: InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3 CH$LINK: CAS 826-36-8 CH$LINK: PUBCHEM CID:13220 CH$LINK: INCHIKEY JWUXJYZVKZKLTJ-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 12665 CH$LINK: COMPTOX DTXSID4041527
AC$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 10 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$CHROMATOGRAPHY: RETENTION_TIME 2.042 min AC$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 156.1372 MS$FOCUSED_ION: PRECURSOR_M/Z 156.1383 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: RECALIBRATE identity on assigned fragments and MS1 MS$DATA_PROCESSING: WHOLE RMassBank 2.10.1
PK$SPLASH: splash10-0a4i-0900000000-8737e9dbfa626f84efd2 PK$ANNOTATION: m/z tentative_formula formula_count mass error(ppm) 156.1378 C9H18NO+ 1 156.1383 -3.42 PK$NUM_PEAK: 1 PK$PEAK: m/z int. rel.int. 156.1378 6624 999 //