ACCESSION: MSBNK-Keio_Univ-KO003046
RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-001i-0900000000-f297b6be034522dc67cf
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
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  58.200 24752.5 1
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  92.100 6529709.5 30
  93.100 910892.0 4
  95.000 94059.5 1
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  99.000 54455.5 1
  105.100 252475.5 1
  107.100 1356437.0 6
  107.700 19802.0 1
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  114.300 19802.0 1
  117.200 940595.0 4
  118.200 1128714.0 5
  132.000 2861389.0 13
  133.300 623763.0 3
  134.100 213930907.0 999
  135.000 89109.0 1
  141.300 24752.5 1
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  157.100 19802.0 1
  158.200 153465.5 1
  159.200 46881235.0 219
  176.200 2306933.0 11
//