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MassBank Record: PT101390

2-Aminoethylphosphonic acid, Phosphonoethylamine, 2-AEP, Ciliatine, 2-aminoethylphosphonic acid; LC-ESI-QTOF; MS2

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

ACCESSION: PT101390
RECORD_TITLE: 2-Aminoethylphosphonic acid, Phosphonoethylamine, 2-AEP, Ciliatine, 2-aminoethylphosphonic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.24
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Build 1 2009/06/24
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: 2-Aminoethylphosphonic acid
CH$NAME: Phosphonoethylamine
CH$NAME: 2-AEP
CH$NAME: Ciliatine
CH$NAME: 2-aminoethylphosphonic acid
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phosphate CLASS3 Phosphonic acid
CH$FORMULA: C2H8NO3P
CH$EXACT_MASS: 125.066
CH$SMILES: C(CP(=O)(O)O)N
CH$IUPAC: InChI=1S/C2H8NO3P/c3-1-2-7(4,5)6/h1-3H2,(H2,4,5,6)
CH$LINK: CAS 2041-14-7
CH$LINK: INCHIKEY QQVDJLLNRSOCEL-UHFFFAOYSA-N

AC$INSTRUMENT: Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 126.03198

PK$SPLASH: splash10-004i-0900000000-dea2b4c4beef393023b8
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  84.9604 3.736 104
  125.9838 10.08 280
  126.032 35.98 999
//

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