ACCESSION: MSBNK-Keio_Univ-KO003044
RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-004i-0900000000-3dd092d45b0fbdf0700a
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  50.100 1108912.0 2
  54.200 415842.0 1
  68.100 2470299.5 5
  71.800 24752.5 1
  76.200 178218.0 1
  77.800 24752.5 1
  85.900 173267.5 1
  93.900 24752.5 1
  99.100 153465.5 1
  100.900 54455.5 1
  102.700 19802.0 1
  103.800 79208.0 1
  107.900 113861.5 1
  109.300 24752.5 1
  112.400 19802.0 1
  113.100 59406.0 1
  115.000 84158.5 1
  116.100 118812.0 1
  116.400 29703.0 1
  118.300 44554.5 1
  123.300 79208.0 1
  125.100 99010.0 1
  126.200 420792.5 1
  127.000 178218.0 1
  132.100 69307.0 1
  134.200 16000016.0 29
  141.100 653466.0 1
  144.400 148515.0 1
  159.200 8074265.5 15
  175.100 49505.0 1
  176.200 548327281.0 999
  176.900 19802.0 1
  194.200 44554.5 1
//