MassBank Record: TUE00833



 Benzyldiethylamine; LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TUE00833
RECORD_TITLE: Benzyldiethylamine; LC-ESI-QTOF; MS2; CE: 40.0V; [M+H]+
DATE: 2019.01.15
AUTHORS: Lege SEnvironmental Analytical Chemistry (EAC), University of Tuebingen, Zwiener CEnvironmental Analytical Chemistry (EAC), University of Tuebingen, Environmental Analytical Chemistry (EAC), University of Tuebingen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2019, Environmental Analytical Chemistry (EAC), University of Tuebingen, Germany
COMMENT: CONFIDENCE reference standard

CH$NAME: Benzyldiethylamine CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H17N CH$EXACT_MASS: 163.13610 CH$SMILES: CCN(CC)Cc1ccccc1 CH$IUPAC: InChI=1S/C11H17N/c1-3-12(4-2)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3 CH$LINK: INCHIKEY ZWRDBWDXRLPESY-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 55154
AC$INSTRUMENT: 6550 QTOF (Agilent Technologies) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0V AC$MASS_SPECTROMETRY: RESOLUTION 13000 (m/z 118) - 26000 (m/z 922) AC$CHROMATOGRAPHY: COLUMN_NAME Flow injection AC$CHROMATOGRAPHY: SOLVENT A AcN:H2O (50:50) + 0.1 % Acetic acid + 1mM Ammoniumacetate
MS$FOCUSED_ION: PRECURSOR_M/Z 164.14338 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REMOVE_PEAK abs.int. < 50 MS$DATA_PROCESSING: REMOVE_PEAK rel.int. < 5
PK$SPLASH: splash10-00kf-9000000000-bd3179cea9446fa33205 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 39.0221 12846 32 41.0377 13192 33 44.0489 6408 16 51.0223 4640 12 63.0226 8675 22 65.0385 230772 583 81.9372 3782 10 91.0540 395273 999 //