ACCESSION: MSBNK-Keio_Univ-KO002433
RECORD_TITLE: Benzimidazole; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-014i-0900000000-ad44ad5a59274045d611
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  41.200 391089.5 1
  50.100 64356.5 1
  50.900 103960.5 1
  55.100 3242577.5 4
  59.200 549505.5 1
  60.200 29703.0 1
  61.100 118812.0 1
  63.300 24752.5 1
  65.100 64356.5 1
  69.200 564357.0 1
  73.200 74257.5 1
  73.900 59406.0 1
  77.800 148515.0 1
  83.100 1717823.5 2
  84.200 39604.0 1
  87.200 188119.0 1
  91.900 143564.5 1
  100.800 188119.0 1
  102.100 9836643.5 11
  118.200 173267.5 1
  119.100 872911764.0 999
//