ACCESSION: MSBNK-Keio_Univ-KO002755
RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID D087

CH$NAME: 5,6-Dimethylbenzimidazol
CH$NAME: Dimethylbenzimidazole
CH$NAME: 5,6-Dimethylbenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀N₂
CH$EXACT_MASS: 146.08440
CH$SMILES: CC1=CC2=C(C=C1C)N=CN2
CH$IUPAC: InChI=1S/C9H10N2/c1-6-3-8-9(4-7(6)2)11-5-10-8/h3-5H,1-2H3,(H,10,11)
CH$LINK: CAS 582-60-5
CH$LINK: CHEBI 15890
CH$LINK: CHEMPDB DMD
CH$LINK: KEGG C03114
CH$LINK: NIKKAJI J69.209C
CH$LINK: PUBCHEM SID:6009
CH$LINK: INCHIKEY LJUQGASMPRMWIW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70870631

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 147
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-4900000000-4e9fbfe2a1943cc865e5
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  41.000 193069.5 22
  44.200 24752.5 3
  56.000 693070.0 81
  64.900 74257.5 9
  66.200 14851.5 2
  76.900 2188121.0 254
  78.000 128713.0 15
  78.900 470297.5 55
  80.100 227723.0 26
  80.400 44554.5 5
  84.300 3064359.5 356
  91.100 1490100.5 173
  91.900 202970.5 24
  93.000 940595.0 109
  93.800 64356.5 7
  95.100 99010.0 12
  101.700 188119.0 22
  102.900 460396.5 54
  104.100 975248.5 113
  104.900 381188.5 44
  106.000 341584.5 40
  113.900 14851.5 2
  117.000 89109.0 10
  118.300 178218.0 21
  119.000 113861.5 13
  120.300 1128714.0 131
  128.600 29703.0 3
  130.100 84158.5 10
  131.200 8594068.0 999
  131.900 4391093.5 510
  142.800 14851.5 2
  145.200 1034654.5 120
  146.200 297030.0 35
  147.200 2554458.0 297
//