MassBank Record: KO000868



 gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:10 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000868
RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:10 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 G032

CH$NAME: g-Guanidinobutyrate CH$NAME: 4-Guanidinobutanoate CH$NAME: gamma-Guanidinobutyric acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H11N3O2 CH$EXACT_MASS: 145.08513 CH$SMILES: NC(=N)NCCCC(O)=O CH$IUPAC: InChI=1S/C5H11N3O2/c6-5(7)8-3-1-2-4(9)10/h1-3H2,(H,9,10)(H4,6,7,8) CH$LINK: CAS 463-00-3 CH$LINK: CHEBI 15728 CH$LINK: KEGG C01035 CH$LINK: NIKKAJI J196.182I CH$LINK: PUBCHEM SID:4278
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 144 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0006-0900000000-9133b9248cec58ba4611 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 41.100 24752.5 1 84.200 24752.5 1 98.300 19802.0 1 100.000 99010.0 2 101.300 64356.5 1 102.000 21797051.5 443 104.100 39604.0 1 125.900 509901.5 10 127.000 2014853.5 41 144.000 49193118.5 999 161.800 9901.0 1 //