ACCESSION: MSBNK-EPA-ENTACT_AGILENT001618
RECORD_TITLE: 1-Butylpyridinium; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0f89-9000000000-19c9acdc8d02ee0f5e3e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  28.030752 1.113015 11
  29.038577 2.182289 21
  30.046402 1.34633 13
  39.022927 22.630949 226
  40.030752 8.880679 88
  41.038577 53.472406 534
  42.046402 24.872598 248
  51.022927 2.945349 29
  52.030752 1.946282 19
  53.038577 60.011001 599
  54.046402 40.446127 404
  57.069877 2.65606 26
  58.077702 1.730895 17
  62.015101 1.529556 15
  78.033826 4.186637 41
  79.041651 6.682282 66
  80.049476 78.805048 787
  81.057301 99.999998 999
//