MassBank Record: KO002437

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Benzimidazole; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002437
RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:50 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: 118.0531
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: COMPTOX DTXSID8024573
CH$LINK: INCHIKEY HYZJCKYKOHLVJF-UHFFFAOYSA-N
CH$LINK: KEGG C02009
CH$LINK: NIKKAJI J2.303E
CH$LINK: PUBCHEM SID:5105

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 50 V

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

PK$SPLASH: splash10-014i-9000000000-ec3b4c31062d629a0e89
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39.1 1668320.0 55.0
  41.3 54455.5 2.0
  51.2 712872.0 23.0
  53.9 64356.5 2.0
  63.0 777228.0 25.0
  65.1 3.0505E7 999.0
  66.0 698020.0 23.0
  67.1 49505.0 2.0
  70.7 34653.5 1.0
  74.2 64356.5 2.0
  74.9 331684.0 11.0
  76.0 99010.0 3.0
  77.1 1188120.0 39.0
  77.6 39604.0 1.0
  78.9 29703.0 1.0
  82.9 14851.5 1.0
  89.3 29703.0 1.0
  89.8 168317.0 6.0
  91.0 717822.0 24.0
  91.9 6198030.0 203.0
  93.1 29703.0 1.0
  102.1 212872.0 7.0
  116.8 29703.0 1.0
  118.0 400990.0 13.0
  119.1 1787130.0 59.0
//