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MassBank Record: KO002435

Benzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+

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

ACCESSION: KO002435
RECORD_TITLE: Benzimidazole; 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 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 30 V

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

PK$SPLASH: splash10-014i-4900000000-aaf85c7703530656ac3b
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  40.900 89109.0 1
  45.900 103960.5 1
  56.200 89109.0 1
  65.100 22108933.0 101
  65.800 168317.0 1
  73.800 287129.0 1
  77.000 1064357.5 5
  77.800 19802.0 1
  84.900 34653.5 1
  90.200 123762.5 1
  91.200 168317.0 1
  91.900 97222869.5 445
  94.600 34653.5 1
  95.900 79208.0 1
  101.800 1108912.0 5
  110.200 311881.5 1
  117.000 123762.5 1
  118.400 1247526.0 6
  119.100 218376456.0 999
  120.000 143564.5 1
  170.400 19802.0 1
  183.000 24752.5 1
//

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