ACCESSION: MSBNK-EPA-ENTACT_AGILENT001931
RECORD_TITLE: 3-Butyl-1-methyl-1H-imidazol-3-ium; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0006-9000000000-df6777a69e10b3cab1ec
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  28.018175 1.988021 19
  29.038577 1.732479 17
  30.033826 1.050008 10
  39.022927 18.263612 182
  40.030752 15.015094 150
  41.026001 1.110478 11
  41.038577 67.35814 672
  42.033826 99.999997 999
  42.046402 63.859307 637
  43.041651 36.180974 361
  43.054227 1.177028 11
  54.033826 1.728384 17
  55.054227 2.977983 29
  56.049476 32.723669 326
  57.057301 15.318555 153
  57.069877 3.025607 30
  58.077702 1.96939 19
  67.029075 1.203643 12
  68.0369 3.937096 39
  82.05255 1.311474 13
  83.060375 61.776745 617
  84.0682 57.016786 569
  84.093352 1.21145 12
  96.0682 2.508447 25
  110.08385 1.069576 10
//