ACCESSION: MSBNK-Keio_Univ-KO002751
RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0002-0900000000-d879a610883483e63326
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  49.800 64356.5 1
  51.300 24752.5 1
  54.800 19802.0 1
  61.100 74257.5 1
  62.200 89109.0 1
  69.600 19802.0 1
  79.000 29703.0 1
  83.000 1504952.0 15
  84.200 777228.5 8
  87.800 9901.0 1
  100.600 24752.5 1
  111.300 24752.5 1
  112.400 39604.0 1
  115.100 193069.5 2
  129.100 133663.5 1
  130.000 38881227.0 384
  132.100 103960.5 1
  145.500 49505.0 1
  147.000 101282279.5 999
  148.000 64356.5 1
  164.900 19802.0 1
//