ACCESSION: MSBNK-EPA-ENTACT_AGILENT001932
RECORD_TITLE: 3-Butyl-1-methyl-1H-imidazol-3-ium; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Butyl-1-methyl-1H-imidazol-3-ium
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₅N₂⁺
CH$EXACT_MASS: 139.1235234933
CH$SMILES: CCCCN1C=[N+](C)C=C1
CH$IUPAC: InChI=1S/C8H15N2/c1-3-4-5-10-7-6-9(2)8-10/h6-8H,3-5H2,1-2H3/q+1
CH$LINK: CAS 80432-08-2
CH$LINK: INCHIKEY IQQRAVYLUAZUGX-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$FOCUSED_ION: PRECURSOR_M/Z 140.130799945
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-001i-9000000000-6ed968415a118b641be6
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  41.038577 16.130913 161
  42.033826 7.260696 72
  42.046402 9.265314 92
  43.041651 2.730862 27
  56.049476 1.963927 19
  57.057301 2.011743 20
  57.069877 9.729081 97
  58.077702 10.021774 100
  83.060375 100.000001 999
  84.0682 95.320811 952
  97.076025 1.253541 12
  140.1308 27.214722 271
//