ACCESSION: MSBNK-EPA-ENTACT_AGILENT001072
RECORD_TITLE: 2-Ethyl-4-methyl-1H-imidazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Ethyl-4-methyl-1H-imidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀N₂
CH$EXACT_MASS: 110.0843983338
CH$SMILES: CC1=CNC(CC)=N1
CH$IUPAC: InChI=1S/C6H10N2/c1-3-6-7-4-5(2)8-6/h4H,3H2,1-2H3,(H,7,8)
CH$LINK: CAS 931-36-2
CH$LINK: INCHIKEY ULKLGIFJWFIQFF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:70262

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$FOCUSED_ION: PRECURSOR_M/Z 111.0916747855
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-053s-9000000000-87e58da23acfbf5f9fdf
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  28.018175 1.770579 17
  39.022927 1.459694 14
  41.026001 2.569971 25
  41.038577 1.976355 19
  42.033826 35.625838 355
  43.041651 1.320821 13
  54.033826 49.090976 490
  55.041651 10.66706 106
  56.049476 60.821836 607
  68.049476 14.230019 142
  81.044725 99.999999 999
  83.060375 3.695743 36
  95.060375 41.824038 417
  96.0682 42.246514 422
//