MassBank Record: KO002446



 Buformin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002446
RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID B010

CH$NAME: Buformin CH$NAME: 1-Butylbiguanide CH$COMPOUND_CLASS: N/A CH$FORMULA: C6H15N5 CH$EXACT_MASS: 157.13275 CH$SMILES: CCCCNC(=N)NC(N)=N CH$IUPAC: InChI=1S/C6H15N5/c1-2-3-4-10-6(9)11-5(7)8/h2-4H2,1H3,(H6,7,8,9,10,11) CH$LINK: CAS 692-13-7 CH$LINK: KEGG C07674 CH$LINK: NIKKAJI J9.453F CH$LINK: PUBCHEM SID:9876 CH$LINK: INCHIKEY XSEUMFJMFFMCIU-UHFFFAOYSA-N
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 158 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-9000000000-4f8114656056dbd77769 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 28.900 39604.0 1 32.800 59406.0 1 39.100 59406.0 1 40.900 2277230.0 46 43.000 12450507.5 252 55.000 103960.5 2 57.100 5970303.0 121 58.200 64356.5 1 58.900 29703.0 1 60.100 49376287.0 999 66.800 69307.0 1 68.000 4737628.5 96 69.800 29703.0 1 70.000 64356.5 1 72.000 94059.5 2 74.000 648515.5 13 79.200 64356.5 1 81.000 44554.5 1 84.900 5381193.5 109 86.100 103960.5 2 99.100 257426.0 5 116.100 376238.0 8 141.200 79208.0 2 //