MassBank Record: KO003044



 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:13081
AC$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 //