MassBank Record: KO002445



 Buformin; 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: KO002445
RECORD_TITLE: Buformin; 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 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$LINK: PUBCHEM SID:9876
AC$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$FOCUSED_ION: PRECURSOR_M/Z 158 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-9000000000-6cc376bdd5912ce96059 PK$NUM_PEAK: 24 PK$PEAK: m/z int. rel.int. 41.000 643565.0 5 43.100 7099017.0 59 45.000 19802.0 1 55.400 49505.0 1 57.200 7227730.0 60 58.200 103960.5 1 60.100 119688238.5 999 66.800 64356.5 1 68.100 2569309.5 21 69.900 198020.0 2 70.800 69307.0 1 72.000 480198.5 4 73.900 3935647.5 33 80.700 69307.0 1 82.400 39604.0 1 85.200 16866353.5 141 90.800 29703.0 1 94.900 158416.0 1 99.000 4108915.0 34 101.600 24752.5 1 116.300 6821789.0 57 124.200 103960.5 1 141.000 2881191.0 24 158.200 564357.0 5 //