ACCESSION: MSBNK-RIKEN_ReSpect-PT202040
RECORD_TITLE: Ara-5P, D-Arabinose-5-phosphate disodium salt, (2,3,4-trihydroxy-5-oxopentyl) dihydrogen phosphate; 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$NAME: Ara-5P
CH$NAME: D-Arabinose-5-phosphate disodium salt
CH$NAME: (2,3,4-trihydroxy-5-oxopentyl) dihydrogen phosphate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Suger phosphate CLASS3 Arabinose phosphate
CH$FORMULA: C₅H₁₁O₈P
CH$EXACT_MASS: 230.111
CH$SMILES: C(C(C(C(C=O)O)O)O)OP(=O)(O)O
CH$IUPAC: InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h1,3-5,7-9H,2H2,(H2,10,11,12)
CH$LINK: CAS 13137-52-5
CH$LINK: INCHIKEY PPQRONHOSHZGFQ-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 229.01135

PK$SPLASH: splash10-002b-9000000000-f3fe9e7cc40f16c3578e
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  78.9593 354.6 769
  96.9692 460.4 999
  138.9789 68.29 148
  229.0114 46.46 101
//