MassBank Record: KO000111



 Ciliatine; 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: KO000111
RECORD_TITLE: Ciliatine; 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 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 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-3aeb1ed81c1ead34c5c0 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 59.000 64356.5 4 62.900 504951.0 33 75.300 24752.5 2 77.100 173267.5 11 78.300 331683.5 21 79.100 15460411.5 999 80.200 415842.0 27 93.600 24752.5 2 //