ACCESSION: MSBNK-EPA-ENTACT_AGILENT002333
RECORD_TITLE: 1-Methylimidazole; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 1-Methylimidazole
CH$NAME: DTXSID6052291
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₄H₆N₂
CH$EXACT_MASS: 82.0530982062
CH$SMILES: CN1C=NC=C1
CH$IUPAC: InChI=1S/C4H6N2/c1-6-3-2-5-4-6/h2-4H,1H3
CH$LINK: CAS 616-47-7
CH$LINK: INCHIKEY MCTWTZJPVLRJOU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:1390

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$FOCUSED_ION: PRECURSOR_M/Z 83.0603746579
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-00kf-9000000000-bdc5c6287ef3878f6a09
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  29.038577 1.506278 15
  40.018175 25.439978 254
  41.026001 100.000001 999
  42.033826 72.880945 728
  54.033826 1.24185 12
  55.041651 2.355005 23
  56.049476 5.198581 51
  67.029075 37.836603 377
  68.0369 77.011706 769
  69.044725 5.143253 51
  69.057301 1.785619 17
  83.060375 9.457232 94
//