ACCESSION: MSBNK-Keio_Univ-KO002754
RECORD_TITLE: 5,6-Dimethylbenzimidazol; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-000t-1900000000-286b3359932c2c63dc23
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40.900 34653.5 2
  51.000 74257.5 4
  54.300 54455.5 3
  56.200 297030.0 14
  63.400 29703.0 1
  65.000 118812.0 6
  66.300 49505.0 2
  77.000 1930695.0 94
  78.000 361386.5 18
  79.100 113861.5 6
  80.200 148515.0 7
  83.000 366337.0 18
  84.100 371287.5 18
  89.000 69307.0 3
  90.100 49505.0 2
  90.800 658416.5 32
  93.100 163366.5 8
  101.100 19802.0 1
  102.700 59406.0 3
  104.000 628713.5 31
  105.300 133663.5 6
  114.100 19802.0 1
  116.900 54455.5 3
  118.300 79208.0 4
  119.900 44554.5 2
  128.000 24752.5 1
  130.100 8074265.5 392
  131.200 3891093.0 189
  131.800 400990.5 19
  145.200 188119.0 9
  146.500 99010.0 5
  147.000 20584179.0 999
//