MassBank Record: KO002971



 beta-Guanidinopropionic 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: KO002971
RECORD_TITLE: beta-Guanidinopropionic 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 G039

CH$NAME: b-Guanidinopropionate CH$NAME: 3-Guanidinopropanoate CH$NAME: beta-Guanidinopropionic acid CH$COMPOUND_CLASS: N/A CH$FORMULA: C4H9N3O2 CH$EXACT_MASS: 131.06948 CH$SMILES: NC(=N)NCCC(O)=O CH$IUPAC: InChI=1S/C4H9N3O2/c5-4(6)7-2-1-3(8)9/h1-2H2,(H,8,9)(H4,5,6,7) CH$LINK: CHEBI 15968 CH$LINK: KEGG C03065 CH$LINK: PUBCHEM SID:5965
AC$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$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9000000000-2ba68363493ccaf36ede PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 30.300 123762.5 8 40.900 49505.0 3 43.200 871288.0 53 44.000 39604.0 2 45.200 138614.0 8 55.100 1905942.5 116 60.100 2420794.5 147 61.200 163366.5 10 68.900 618812.5 38 70.100 178218.0 11 72.100 16425759.0 999 73.000 2257428.0 137 79.200 24752.5 2 79.800 19802.0 1 83.600 29703.0 2 86.000 277228.0 17 90.000 668317.5 41 97.200 727723.5 44 98.100 89109.0 5 100.000 34653.5 2 114.000 247525.0 15 115.100 287129.0 17 132.000 183168.5 11 //