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MassBank Record: KO002436

Benzimidazole; LC-ESI-QQ; MS2; CE:40 V; [M+H]+

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

ACCESSION: KO002436
RECORD_TITLE: Benzimidazole; 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 B007

CH$NAME: Benzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C7H6N2
CH$EXACT_MASS: 118.05310
CH$SMILES: C1=CC=C2C(=C1)NC=N2
CH$IUPAC: InChI=1S/C7H6N2/c1-2-4-7-6(3-1)8-5-9-7/h1-5H,(H,8,9)
CH$LINK: CAS 51-17-2
CH$LINK: CHEBI 3028
CH$LINK: CHEMPDB BZI
CH$LINK: KEGG C02009
CH$LINK: NIKKAJI J2.303E
CH$LINK: PUBCHEM SID:5105
CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8024573

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$FOCUSED_ION: PRECURSOR_M/Z 119
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-014l-9200000000-db09859cc86d414cc704
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39.100 490099.5 7
  41.200 49505.0 1
  42.000 24752.5 1
  45.500 39604.0 1
  51.000 297030.0 4
  51.300 74257.5 1
  57.200 29703.0 1
  63.000 311881.5 4
  64.300 366337.0 5
  65.100 70183238.5 999
  65.900 1118813.0 16
  67.000 29703.0 1
  71.300 24752.5 1
  75.100 371287.5 5
  76.900 3113864.5 44
  89.900 564357.0 8
  90.800 618812.5 9
  91.900 50579258.5 720
  93.000 49505.0 1
  99.100 24752.5 1
  102.000 1163367.5 17
  110.200 198020.0 3
  116.300 39604.0 1
  117.900 1069308.0 15
  119.300 30514882.0 434
  120.300 123762.5 2
//

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