MassBank Record: KO002169



 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: KO002169
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: (2-Aminoethyl)phosphonate CH$NAME: Ciliatine CH$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$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-2900000000-2358a14673517ff9fa21 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 36.100 44554.5 3 43.900 49505.0 3 55.000 59406.0 4 72.300 14851.5 1 78.900 272277.5 16 79.900 188119.0 11 80.700 945545.5 57 82.800 14851.5 1 91.100 589109.5 36 93.800 64356.5 4 97.100 2381190.5 144 97.800 198020.0 12 98.900 1133664.5 69 108.200 509901.5 31 109.100 16500016.5 999 125.900 4559410.5 276 127.000 44554.5 3 169.600 9901.0 1 //