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MassBank Record: MSBNK-RIKEN_ReSpect-PT203160

(2S)-2-amino-3-phosphonooxypropanoic acid, Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; LC-ESI-QTOF; MS2

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

ACCESSION: MSBNK-RIKEN_ReSpect-PT203160
RECORD_TITLE: (2S)-2-amino-3-phosphonooxypropanoic acid, Dexfosfoserine, Ser(P), Serine phosphate, o-Phospho-L-serine, L-2-Amino-3-hydroxypropanoic acid 3-phosphate, Plasmenylserine, L-SOP, L-Serine O-phosphate, 3-phosphoserine; 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$NAME: (2S)-2-amino-3-phosphonooxypropanoic acid
CH$NAME: Dexfosfoserine
CH$NAME: Ser(P)
CH$NAME: Serine phosphate
CH$NAME: o-Phospho-L-serine
CH$NAME: L-2-Amino-3-hydroxypropanoic acid 3-phosphate
CH$NAME: Plasmenylserine
CH$NAME: L-SOP
CH$NAME: L-Serine O-phosphate
CH$NAME: 3-phosphoserine
CH$COMPOUND_CLASS: CLASS1 Amino acid CLASS2 Serine
CH$FORMULA: C3H8NO6P
CH$EXACT_MASS: 185.074
CH$SMILES: C(C(C(=O)O)N)OP(=O)(O)O
CH$IUPAC: InChI=1S/C3H8NO6P/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H2,7,8,9)
CH$LINK: CAS 407-41-0
CH$LINK: INCHIKEY BZQFBWGGLXLEPQ-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 184.00112

PK$SPLASH: splash10-0002-9000000000-f653dafdf17fa74b83a5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9598 20.81 469
  96.9693 44.34 999
  184.0011 3.896 88
//

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