MassBank Record: KO002256



 Agmatine; 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: KO002256
RECORD_TITLE: Agmatine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 131 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-e38858b8c1a4fb2a6b14 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 10.000 19802.0 1 30.200 638614.5 29 39.200 19802.0 1 41.300 14851.5 1 43.100 1024753.5 47 43.900 628713.5 29 53.100 113861.5 5 55.100 3069310.0 141 56.100 49505.0 2 57.900 29703.0 1 60.300 3000003.0 137 68.300 94059.5 4 69.100 69307.0 3 70.100 74257.5 3 72.200 21797051.5 999 73.000 64356.5 3 76.800 69307.0 3 79.300 113861.5 5 81.300 49505.0 2 84.100 29703.0 1 86.300 44554.5 2 97.100 470297.5 22 113.800 103960.5 5 //