MassBank Record: KO002254



 Agmatine; 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: KO002254
RECORD_TITLE: Agmatine; 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 A104

CH$NAME: Agmatine CH$NAME: (4-Aminobutyl) guanidine CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H14N4 CH$EXACT_MASS: 130.12185 CH$SMILES: NCCCCNC(N)=N CH$IUPAC: InChI=1S/C5H14N4/c6-3-1-2-4-9-5(7)8/h1-4,6H2,(H4,7,8,9) CH$LINK: CAS 306-60-5 CH$LINK: CHEBI 17431 CH$LINK: KEGG C00179 CH$LINK: NIKKAJI J11.608D CH$LINK: PUBCHEM SID:3479
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 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9200000000-a6b84c1241179a3739f8 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 30.200 24752.5 1 44.100 94059.5 1 44.300 29703.0 1 55.100 341584.5 2 60.100 25386164.0 150 66.300 34653.5 1 68.000 89109.0 1 68.900 79208.0 1 70.000 79208.0 1 72.100 168960565.0 999 74.000 331683.5 2 78.900 118812.0 1 80.900 94059.5 1 86.000 356436.0 2 88.400 39604.0 1 89.500 34653.5 1 95.900 178218.0 1 97.100 11079219.0 66 99.000 99010.0 1 99.800 59406.0 1 113.100 64356.5 1 114.000 45054500.5 266 131.300 9133672.5 54 //