MassBank Record: KO002970



 beta-Guanidinopropionic 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: KO002970
RECORD_TITLE: beta-Guanidinopropionic 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 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 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00di-9400000000-202f65d00956e051d5b0 PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 42.800 99010.0 3 44.700 24752.5 1 51.800 39604.0 1 55.000 574258.0 19 59.000 272277.5 9 60.200 2628715.5 86 61.400 207921.0 7 69.200 732674.0 24 69.900 99010.0 3 72.100 30485179.0 999 73.000 2405943.0 79 82.900 69307.0 2 86.000 762377.0 25 90.100 15178233.0 497 96.900 3519805.5 115 98.000 267327.0 9 99.900 143564.5 5 100.500 74257.5 2 114.200 8099018.0 265 115.300 5326738.0 175 132.100 14673282.0 481 //