MassBank Record: KO002172



 Ciliatine; LC-ESI-QQ; MS2; CE:50 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002172
RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:50 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 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 126 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-01qa-9000000000-8bb308bfbd03622244dd PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 45.800 39604.0 43 46.900 94059.5 102 48.700 9901.0 11 63.000 485149.0 526 65.100 54455.5 59 79.100 381188.5 414 79.900 29703.0 32 81.000 920793.0 999 90.800 19802.0 21 97.100 94059.5 102 97.400 19802.0 21 98.800 346535.0 376 //