MassBank Record: KO002973



 beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002973
RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052f-9000000000-4659c75c5d7116058d41 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 30.100 29703.0 26 38.700 14851.5 13 41.300 19802.0 18 43.000 1128714.0 999 44.700 44554.5 39 52.700 14851.5 13 55.200 628713.5 556 57.300 24752.5 22 60.000 183168.5 162 71.900 212871.5 188 72.700 74257.5 66 //