MassBank Record: KO002960



 gamma-Guanidinobutyric acid; 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: KO002960
RECORD_TITLE: gamma-Guanidinobutyric acid; 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 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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000j-9700000000-20d2b0d6d24335aaf532 PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 36.200 29703.0 1 43.000 391089.5 6 44.800 148515.0 2 46.200 351485.5 5 50.100 232673.5 3 54.900 128713.0 2 56.100 64356.5 1 60.200 6965353.5 102 61.200 247525.0 4 67.200 59406.0 1 68.100 188119.0 3 69.100 1806932.5 27 71.000 455446.0 7 74.900 19802.0 1 77.900 118812.0 2 83.300 2123764.5 31 84.400 39604.0 1 86.200 52440646.5 770 87.200 68079276.0 999 90.900 34653.5 1 92.800 178218.0 3 99.900 24752.5 1 101.100 44554.5 1 104.100 16178234.0 237 111.300 10346545.0 152 114.200 336634.0 5 128.200 13272290.5 195 129.100 4871292.0 71 146.200 63574321.0 933 //