MassBank Record: KO002959



 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: KO002959
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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-57afcc249d5db66b3faf PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 36.200 153465.5 1 46.200 391089.5 1 50.100 10376248.0 23 54.100 74257.5 1 55.600 19802.0 1 59.800 44554.5 1 60.200 178218.0 1 61.000 103960.5 1 64.100 133663.5 1 67.800 143564.5 1 68.900 49505.0 1 71.300 29703.0 1 72.600 44554.5 1 74.100 69307.0 1 78.000 13668330.5 31 80.900 44554.5 1 82.100 633664.0 1 83.200 188119.0 1 86.100 2297032.0 5 87.200 3841588.0 9 89.400 19802.0 1 93.100 99010.0 1 96.200 49505.0 1 96.800 123762.5 1 99.900 34653.5 1 104.000 3242577.5 7 109.900 128713.0 1 111.300 2079210.0 5 114.400 792080.0 2 128.100 18480216.5 42 129.100 9544564.0 21 146.200 443970741.0 999 //