MassBank Record: KO002962



 gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002962
RECORD_TITLE: gamma-Guanidinobutyric acid; LC-ESI-QQ; MS2; CE:40 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 146 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kr-9000000000-ee8fd9ce400f6df77c5f PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 30.000 24752.5 2 38.800 49505.0 4 41.000 1381189.5 116 43.100 5960402.0 498 44.100 410891.5 34 45.000 6792086.0 568 55.200 188119.0 16 56.400 737624.5 62 57.800 54455.5 5 59.000 113861.5 10 60.200 1108912.0 93 60.600 49505.0 4 65.900 297030.0 25 68.300 782179.0 65 69.000 8752484.0 732 72.300 49505.0 4 77.300 118812.0 10 83.300 331683.5 28 84.000 29703.0 2 86.100 11945556.5 999 87.000 3227726.0 270 91.500 24752.5 2 94.500 19802.0 2 99.400 9901.0 1 111.100 74257.5 6 127.900 79208.0 7 250.200 19802.0 2 342.100 24752.5 2 459.200 14851.5 1 //