MassBank Record: KO003045



 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO003045
RECORD_TITLE: 2-Guanidinobenzimidazole; LC-ESI-QQ; MS2; CE:20 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 176 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-f71ee428cd45408fd449 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 36.200 49505.0 1 43.200 34653.5 1 50.000 321782.5 1 57.100 19802.0 1 66.900 39604.0 1 71.800 49505.0 1 80.800 118812.0 1 82.800 39604.0 1 85.200 99010.0 1 87.200 24752.5 1 92.300 148515.0 1 93.000 29703.0 1 95.000 183168.5 1 97.000 39604.0 1 98.900 118812.0 1 104.000 49505.0 1 106.700 94059.5 1 109.300 64356.5 1 113.400 148515.0 1 116.300 59406.0 1 123.200 193069.5 1 126.200 59406.0 1 127.300 34653.5 1 131.800 143564.5 1 134.100 216812098.0 999 141.300 336634.0 2 143.700 19802.0 1 159.200 52549557.5 242 173.200 9901.0 1 175.300 74257.5 1 176.300 106178324.0 489 //