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MassBank Record: KO002752

5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO002752
RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:20 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 20 V

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

PK$SPLASH: splash10-0002-1900000000-7810390c926bc0a2238a
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  61.400 64356.5 1
  72.100 19802.0 1
  72.700 14851.5 1
  76.600 29703.0 1
  83.200 103960.5 2
  84.100 14039618.0 221
  87.800 19802.0 1
  91.200 14851.5 1
  92.800 79208.0 1
  101.700 123762.5 2
  102.400 29703.0 1
  105.700 54455.5 1
  112.500 59406.0 1
  119.100 29703.0 1
  120.100 262376.5 4
  130.100 9163375.5 144
  131.200 242574.5 4
  132.100 816832.5 13
  145.200 212871.5 3
  146.500 386139.0 6
  147.200 63500063.5 999
//

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