MassBank Record: KO002447



 Buformin; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002447
RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 158 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01ox-9000000000-d70f462a7d168d2bacbd PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 29.000 74257.5 7 39.100 163366.5 16 41.100 1767328.5 172 43.100 9792089.0 956 44.200 44554.5 4 55.300 84158.5 8 57.200 1089110.0 106 58.900 34653.5 3 60.100 10237634.0 999 68.100 4301984.5 420 69.800 19802.0 2 85.100 831684.0 81 116.000 14851.5 1 //