MassBank Record: KO002961



 gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002961
RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9000000000-a4bb465c44540f709872 PK$NUM_PEAK: 38 PK$PEAK: m/z int. rel.int. 41.100 331683.5 8 43.100 4821787.0 119 44.200 49505.0 1 45.000 4529707.5 112 46.200 198020.0 5 55.100 351485.5 9 56.400 816832.5 20 56.900 49505.0 1 58.400 39604.0 1 59.000 64356.5 2 60.300 4554460.0 113 60.900 64356.5 2 63.800 19802.0 1 65.800 163366.5 4 68.100 1316833.0 33 69.100 11519813.5 285 70.100 14851.5 1 70.900 183168.5 5 73.000 79208.0 2 73.800 19802.0 1 77.300 54455.5 1 79.400 19802.0 1 81.500 19802.0 1 83.200 2584161.0 64 84.300 14851.5 1 86.200 40435684.0 999 87.000 30990130.0 766 91.000 69307.0 2 93.100 69307.0 2 96.000 69307.0 2 97.000 54455.5 1 101.100 29703.0 1 104.100 618812.5 15 111.200 2801983.0 69 114.000 84158.5 2 128.300 599010.5 15 129.300 79208.0 2 146.100 752476.0 19 //