MassBank Record: KO002969



 beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002969
RECORD_TITLE: beta-Guanidinopropionic acid; LC-ESI-QQ; MS2; CE:10 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 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 132 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-001i-0900000000-555c4102f4a65d8aed9b PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 36.000 69307.0 1 50.000 2400992.5 16 52.100 54455.5 1 59.600 59406.0 1 64.100 138614.0 1 67.800 34653.5 1 68.800 89109.0 1 71.000 29703.0 1 71.900 1173268.5 8 73.100 222772.5 2 77.800 648515.5 4 81.900 94059.5 1 82.500 29703.0 1 86.300 54455.5 1 90.000 4480202.5 31 96.800 455446.0 3 100.200 410891.5 3 114.000 3450498.5 24 115.300 12975260.5 89 131.900 145955591.5 999 //