MassBank Record: KO002444



 Buformin; 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: KO002444
RECORD_TITLE: Buformin; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 158 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-08fr-9600000000-75a14777c98b6cd11b79 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 43.100 678218.5 5 57.300 618812.5 5 60.100 124841709.0 999 66.000 34653.5 1 66.800 49505.0 1 68.200 118812.0 1 69.800 44554.5 1 71.100 108911.0 1 72.000 188119.0 2 74.000 2707923.5 22 80.900 242574.5 2 82.800 49505.0 1 83.800 59406.0 1 85.100 14247539.0 114 90.900 24752.5 1 95.100 232673.5 2 97.100 89109.0 1 97.800 34653.5 1 98.900 10569317.5 85 102.200 103960.5 1 112.900 34653.5 1 116.200 14336648.0 115 122.700 29703.0 1 123.300 292079.5 2 124.300 59406.0 1 125.800 59406.0 1 140.200 29703.0 1 141.200 13019815.0 104 158.200 90331773.5 723 //