MassBank Record: MSBNK-RIKEN_ReSpect-PT201390
ACCESSION: MSBNK-RIKEN_ReSpect-PT201390
RECORD_TITLE: 2-Aminoethylphosphonic acid, Phosphonoethylamine, 2-AEP, Ciliatine, 2-aminoethylphosphonic acid; LC-ESI-QTOF; MS2
DATE: 2008.07.28
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 NEGATIVE
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 124.01638
PK$SPLASH: splash10-00fr-6900000000-8b83cfaae8c27c409d02
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
78.9595 119.0 777
79.9672 8.425 55
106.9891 12.5 82
124.0164 153.0 999
//