ACCESSION: MSBNK-EPA-ENTACT_AGILENT001616
RECORD_TITLE: 1-Butylpyridinium; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-4900000000-eced75b7c137f41d9058
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.038577 2.853165 28
  42.046402 1.099366 10
  57.069877 5.892036 58
  58.077702 3.976211 39
  80.049476 19.813751 197
  81.057301 22.144939 221
  136.112076 1.179404 11
  137.119901 100.000003 999
//