MassBank Record: KO000110



 Ciliatine; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000110
RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 124 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-004i-9000000000-9b1acfd3ef6529663c21 PK$NUM_PEAK: 11 PK$PEAK: m/z int. rel.int. 59.200 262376.5 12 62.700 148515.0 7 77.000 39604.0 2 77.800 113861.5 5 79.000 21599031.5 999 79.900 940595.0 44 94.100 103960.5 5 95.000 183168.5 8 105.900 168317.0 8 106.900 519802.5 24 124.200 475248.0 22 //