MassBank Record: TUE00022



 2,6-Xylidine; LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: TUE00022
RECORD_TITLE: 2,6-Xylidine; LC-ESI-QTOF; MS2; CE: 20.0V; [M+H]+
DATE: 2015.11.27
AUTHORS: Lege S, Zwiener C, Environmental Analytical Chemistry (EAC), University of Tuebingen
LICENSE: CC BY
COPYRIGHT: Copyright (C) 2015, Environmental Analytical Chemistry (EAC), University of Tuebingen, Germany
COMMENT: CONFIDENCE reference standard

CH$NAME: 2,6-Xylidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C8H11N CH$EXACT_MASS: 121.08915 CH$SMILES: Cc1cccc(c1N)C CH$IUPAC: InChI=1S/C8H11N/c1-6-4-3-5-7(2)8(6)9/h3-5H,9H2,1-2H3 CH$LINK: INCHIKEY UFFBMTHBGFGIHF-UHFFFAOYSA-N CH$LINK: CHEMSPIDER 6630
AC$INSTRUMENT: 6550 Q-TOF (Agilent Technologies) AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20.0V AC$MASS_SPECTROMETRY: RESOLUTION 12000 (m/z 120) - 26000 (m/z 1000) AC$CHROMATOGRAPHY: COLUMN_NAME Flow injection AC$CHROMATOGRAPHY: SOLVENT A AcN:H2O (50:50) + 0.1 % Acetic acid + 1mM Ammoniumacetate
MS$FOCUSED_ION: PRECURSOR_M/Z 122.09643 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: REMOVE_PEAK abs.int. < 50 MS$DATA_PROCESSING: REMOVE_PEAK rel.int. < 5
PK$SPLASH: splash10-0a6r-5900000000-a6314a94dc1796788f21 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 40.4934 90 23 51.0224 111 28 67.0293 54 14 68.0323 123 31 77.0387 1720 434 79.0542 1920 484 94.0401 72 18 95.0394 57 14 95.0433 306 77 103.0540 1141 288 105.0699 3961 999 106.0653 230 58 107.0727 1260 318 120.0803 113 28 122.0959 972 245 //