MassBank Record: KO000108

Home Search Record Index Data Privacy Imprint

Ciliatine; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO000108
RECORD_TITLE: Ciliatine; LC-ESI-QQ; MS2; CE:10 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: COMPTOX DTXSID10174362
CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N
CH$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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 124
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-00di-0900000000-418cac1976f90b459fa3
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  59.2 316832.0 6.0
  60.2 133664.0 2.0
  78.8 470298.0 9.0
  93.1 29703.0 1.0
  93.9 54455.5 1.0
  95.1 79208.0 1.0
  106.6 44554.5 1.0
  107.0 99010.0 2.0
  123.2 39604.0 1.0
  124.0 5.48763E7 999.0
//