MassBank Record: TUE00023



 2,6-Xylidine; 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: TUE00023
RECORD_TITLE: 2,6-Xylidine; LC-ESI-QTOF; MS2; CE: 40.0V; [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$MASS_SPECTROMETRY: COLLISION_ENERGY 40.0V AC$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$SPLASH: splash10-0fb9-9000000000-87bb3c76b8e5f33dd07f PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 39.0221 232 65 40.0169 92 26 40.0184 73 20 41.0206 57 16 41.0375 54 15 50.0145 67 19 51.0227 2393 667 52.0180 65 18 53.0378 230 64 65.0388 240 67 66.0465 111 31 67.0290 300 84 68.0323 275 77 77.0386 3586 999 78.0452 99 28 79.0541 415 116 95.0427 113 31 103.0541 221 62 105.0705 56 16 106.0651 385 107 //