MassBank Record: KO002117

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

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

ACCESSION: 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: 133.064
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: COMPTOX DTXSID1024465
CH$LINK: INCHIKEY JWYUFVNJZUSCSM-UHFFFAOYSA-N
CH$LINK: KEGG C10901
CH$LINK: NIKKAJI J3.655B
CH$LINK: PUBCHEM SID:13084

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.
  14.3 49505.0 1.0
  29.4 34653.5 1.0
  39.2 1014850.0 24.0
  40.9 153466.0 4.0
  43.0 148515.0 4.0
  43.8 118812.0 3.0
  53.1 460396.0 11.0
  54.2 89109.0 2.0
  56.2 643565.0 15.0
  57.1 188119.0 5.0
  58.1 143564.0 3.0
  58.7 29703.0 1.0
  60.2 69307.0 2.0
  61.2 14851.5 1.0
  61.9 19802.0 1.0
  63.3 440594.0 11.0
  65.1 4.17129E7 999.0
  66.0 2029700.0 49.0
  67.1 158416.0 4.0
  69.9 158416.0 4.0
  72.5 74257.5 2.0
  74.1 24752.5 1.0
  76.3 39604.0 1.0
  76.9 173268.0 4.0
  77.8 297030.0 7.0
  78.9 460396.0 11.0
  80.0 7886150.0 189.0
  84.9 34653.5 1.0
  87.3 14851.5 1.0
  90.0 806932.0 19.0
  91.4 405941.0 10.0
  91.9 8272290.0 198.0
  93.2 4113870.0 99.0
  104.9 425743.0 10.0
  106.3 386139.0 9.0
  107.2 1079210.0 26.0
  115.9 19802.0 1.0
  117.0 242574.0 6.0
  118.0 123762.0 3.0
  131.9 74257.5 2.0
  133.3 257426.0 6.0
  134.0 851486.0 20.0
//