MassBank Record: KO000109



 Ciliatine; 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: KO000109
RECORD_TITLE: Ciliatine; 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 A056

CH$NAME: 2-Aminoethylphosphonate CH$NAME: Ciliatine CH$NAME: (2-Aminoethyl)phosphonate CH$COMPOUND_CLASS: N/A CH$FORMULA: C2H8NO3P CH$EXACT_MASS: 125.02418 CH$SMILES: NCCP(O)(O)=O CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6) CH$LINK: CHEBI 15573 CH$LINK: KEGG C03557 CH$LINK: PUBCHEM SID:6353
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-00b9-9700000000-2b4b634c649db8149168 PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 59.200 475248.0 27 78.700 17821800.0 999 79.800 178218.0 10 90.800 9901.0 1 93.800 39604.0 2 95.000 886139.5 50 106.100 425743.0 24 107.000 2212873.5 124 124.000 13202983.5 740 //