MassBank Record: KO000869



 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: KO000869
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$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 144 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0udi-0900000000-839146a1223d81fcfe1e PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 41.000 346535.0 10 58.000 143564.5 4 58.800 29703.0 1 59.700 19802.0 1 83.500 2470299.5 71 84.100 485149.0 14 85.400 59406.0 2 96.200 9901.0 1 98.100 29703.0 1 100.100 79208.0 2 102.000 34559440.5 999 103.900 44554.5 1 109.200 24752.5 1 126.800 351485.5 10 144.100 1386140.0 40 //