MassBank Record: KO002972



 beta-Guanidinopropionic 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: KO002972
RECORD_TITLE: beta-Guanidinopropionic 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05fr-9000000000-245d3980a77046e1db8d PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 29.800 19802.0 8 41.000 99010.0 40 43.000 1504952.0 603 44.000 108911.0 44 44.800 198020.0 79 55.100 1856437.5 743 58.100 29703.0 12 59.000 84158.5 34 60.200 742575.0 297 68.900 188119.0 75 72.000 2495052.0 999 72.900 618812.5 248 86.100 49505.0 20 96.900 24752.5 10 //