ACCESSION: MSBNK-Keio_Univ-KO002116
RECORD_TITLE: 2-Aminobenzimidazole; 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 A042

CH$NAME: 2-Aminobenzimidazole
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇N₃
CH$EXACT_MASS: 133.06400
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)N
CH$IUPAC: InChI=1S/C7H7N3/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H3,8,9,10)
CH$LINK: CAS 934-32-7
CH$LINK: KEGG C10901
CH$LINK: NIKKAJI J3.655B
CH$LINK: PUBCHEM SID:13084
CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1024465

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$FOCUSED_ION: PRECURSOR_M/Z 134
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-00kf-9100000000-f60ffa670aee80bb9085
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  39.200 163366.5 3
  41.000 54455.5 1
  42.300 74257.5 1
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  45.100 54455.5 1
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  58.900 89109.0 1
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  65.100 64178282.0 984
  65.900 1391090.5 21
  67.000 178218.0 3
  69.800 638614.5 10
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  79.200 351485.5 5
  80.000 17643582.0 271
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  92.100 65133728.5 999
  93.100 16435660.0 252
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  134.200 15886154.5 244
  135.100 143564.5 2
//