ACCESSION: MSBNK-Keio_Univ-KO003047
RECORD_TITLE: 2-Guanidinobenzimidazole; 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 G101

CH$NAME: 2-Guanidinobenzimidazole
CH$NAME: 2-Benzimidazolylguanidine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉N₅
CH$EXACT_MASS: 175.08580
CH$SMILES: C1=CC=C2C(=C1)NC(=N2)N=C(N)N
CH$IUPAC: InChI=1S/C8H9N5/c9-7(10)13-8-11-5-3-1-2-4-6(5)12-8/h1-4H,(H5,9,10,11,12,13)
CH$LINK: CAS 5418-95-1
CH$LINK: KEGG C10898
CH$LINK: NIKKAJI J217.997K
CH$LINK: PUBCHEM SID:13081
CH$LINK: INCHIKEY JJWCTKUQWXYIIU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6063858

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$FOCUSED_ION: PRECURSOR_M/Z 176
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001l-4900000000-97f15bf18e7a36946ed7
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  42.900 1074258.5 13
  55.300 29703.0 1
  65.200 3782182.0 45
  67.900 14851.5 1
  68.900 34653.5 1
  70.800 24752.5 1
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  81.200 59406.0 1
  90.100 1915843.5 23
  92.100 43504994.0 518
  93.100 5861392.0 70
  94.900 34653.5 1
  97.100 39604.0 1
  98.700 24752.5 1
  103.800 29703.0 1
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  105.200 3069310.0 37
  105.900 84158.5 1
  107.000 7712879.0 92
  108.200 79208.0 1
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  117.200 4816836.5 57
  117.900 4623767.0 55
  132.100 7133670.5 85
  133.100 1435645.0 17
  134.200 83891173.0 999
  134.900 326733.0 4
  141.900 89109.0 1
  158.100 188119.0 2
  159.100 14084172.5 168
  176.200 19802.0 1
//