MassBank Record: KO003046



 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM SID:13081
AC$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. 35.900 29703.0 1 43.100 524753.0 2 58.200 24752.5 1 58.500 24752.5 1 64.900 64356.5 1 67.100 54455.5 1 71.900 29703.0 1 80.200 103960.5 1 81.200 118812.0 1 88.100 24752.5 1 89.900 64356.5 1 92.100 6529709.5 30 93.100 910892.0 4 95.000 94059.5 1 98.000 24752.5 1 99.000 54455.5 1 105.100 252475.5 1 107.100 1356437.0 6 107.700 19802.0 1 113.000 84158.5 1 114.300 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 1 142.200 44554.5 1 157.100 19802.0 1 158.200 153465.5 1 159.200 46881235.0 219 176.200 2306933.0 11 //