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MassBank Record: KO002753

5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO002753
RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-000t-3900000000-0e438f149c15e3ba2238
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  56.300 316832.0 13
  68.800 34653.5 1
  71.200 14851.5 1
  74.000 14851.5 1
  77.100 297030.0 12
  78.600 59406.0 2
  79.300 252475.5 10
  79.800 79208.0 3
  83.400 29703.0 1
  84.100 12331695.5 505
  87.800 24752.5 1
  91.000 465347.0 19
  92.300 74257.5 3
  93.000 712872.0 29
  94.000 14851.5 1
  102.000 34653.5 1
  103.200 277228.0 11
  103.800 173267.5 7
  106.200 826733.5 34
  116.900 39604.0 2
  117.900 103960.5 4
  119.100 94059.5 4
  120.200 2500002.5 102
  129.100 14851.5 1
  130.200 435644.0 18
  131.200 2985151.5 122
  131.900 7267334.0 298
  145.100 1321783.5 54
  146.500 698020.5 29
  147.000 24376262.0 999
//

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