ACCESSION: UF024310
RECORD_TITLE: 2,6-Lutidine; APCI-ITFT; MS2; CE: 90; R=60000; [M+H]+;  direct infusion
DATE: 2012.05.28
AUTHORS: Krauss M, Schulze T, Department of Effect-Directed Analysis, Helmholtz Centre for Environmental Research - UFZ GmbH, Leipzig, Germany
LICENSE: http://massbank.normandata.eu/MassBank/license.html
COPYRIGHT: Copyright (C) 2012
COMMENT: CONFIDENCE standard compound
COMMENT: WANA Internal ID 243
CH$NAME: 2,6-Lutidine
CH$NAME: 2,6-dimethylpyridine
CH$COMPOUND_CLASS: N/A; Environmental Standard
CH$FORMULA: C7H9N
CH$EXACT_MASS: 107.07350
CH$SMILES: CC1=CC=CC(C)=N1
CH$IUPAC: InChI=1S/C7H9N/c1-6-4-3-5-7(2)8-6/h3-5H,1-2H3
CH$LINK: CAS 108-48-5
CH$LINK: PUBCHEM CID:7937
CH$LINK: INCHIKEY OISVCGZHLKNMSJ-UHFFFAOYSA-N
CH$LINK: CHEMSPIDER 13842613
AC$INSTRUMENT: LTQ Orbitrap XL Thermo Scientific
AC$INSTRUMENT_TYPE: APCI-ITFT
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: IONIZATION APCI
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE HCD
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 90 (nominal)
AC$MASS_SPECTROMETRY: RESOLUTION 60000
AC$CHROMATOGRAPHY: COLUMN_NAME 
AC$CHROMATOGRAPHY: FLOW_GRADIENT 
AC$CHROMATOGRAPHY: FLOW_RATE 
AC$CHROMATOGRAPHY: RETENTION_TIME 2.2 min
AC$CHROMATOGRAPHY: SOLVENT A 
AC$CHROMATOGRAPHY: SOLVENT B 
MS$FOCUSED_ION: BASE_PEAK 108.08057
MS$FOCUSED_ION: PRECURSOR_M/Z 108.08078
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE RMassBank
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  65.0386 5547.8 9
  67.0542 18819.6 32
  92.0495 6105.3 10
  93.0573 5937 10
  107.073 7723.8 13
  108.0807 585216.9 999
  110.0599 12821.5 21
