ACCESSION: MSBNK-EPA-ENTACT_AGILENT001617
RECORD_TITLE: 1-Butylpyridinium; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Butylpyridinium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄N⁺
CH$EXACT_MASS: 136.112624454
CH$SMILES: CCCC[N+]1C=CC=CC=1
CH$IUPAC: InChI=1S/C9H14N/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3/q+1
CH$LINK: CAS 45806-95-9
CH$LINK: INCHIKEY REACWASHYHDPSQ-UHFFFAOYSA-N

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20

MS$FOCUSED_ION: PRECURSOR_M/Z 137.1199009057
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-220c5b134e9f4fe68e47
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  29.038577 1.295958 12
  30.046402 1.1035 11
  39.022927 1.281047 12
  41.038577 24.512302 244
  42.046402 12.667095 126
  53.038577 1.850357 18
  54.046402 1.29124 12
  57.069877 24.822225 247
  58.077702 17.203492 171
  80.049476 84.79828 847
  81.057301 100 999
  137.119901 23.580257 235
//