ACCESSION: MSBNK-Keio_Univ-KO002117
RECORD_TITLE: 2-Aminobenzimidazole; 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 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 50 V

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

PK$SPLASH: splash10-014i-9000000000-6a6e37f72bf8d393aca2
PK$NUM_PEAK: 42
PK$PEAK: m/z int. rel.int.
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  39.200 1014852.5 24
  40.900 153465.5 4
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  61.900 19802.0 1
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  65.100 41712913.0 999
  66.000 2029705.0 49
  67.100 158416.0 4
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  72.500 74257.5 2
  74.100 24752.5 1
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  78.900 460396.5 11
  80.000 7886146.5 189
  84.900 34653.5 1
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  90.000 806931.5 19
  91.400 405941.0 10
  91.900 8272285.5 198
  93.200 4113865.5 99
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  115.900 19802.0 1
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  134.000 851486.0 20
//