ACCESSION: MSBNK-RIKEN_ReSpect-PT203350
RECORD_TITLE: glycero-1P, [(2R)-2,3-dihydroxypropyl] dihydrogen phosphate, sn-Gro-1P, rac-Glycerol 1-phosphate, rac-Glycerol 3-phosphoate disodium salt hexahydrate, DL-alpha-Glycerophosphate , glycerophosphoric acid, glycero-3P; 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$NAME: glycero-1P
CH$NAME: [(2R)-2,3-dihydroxypropyl] dihydrogen phosphate
CH$NAME: sn-Gro-1P
CH$NAME: rac-Glycerol 1-phosphate
CH$NAME: rac-Glycerol 3-phosphoate disodium salt hexahydrate
CH$NAME: DL-alpha-Glycerophosphate
CH$NAME: glycerophosphoric acid
CH$NAME: glycero-3P
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Phospholipid CLASS3 Glycerophosphate
CH$FORMULA: C₃H₉O₆P
CH$EXACT_MASS: 172.075
CH$SMILES: C(C(COP(=O)(O)O)O)O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
CH$LINK: CAS 3325-00-6
CH$LINK: INCHIKEY AWUCVROLDVIAJX-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 171.00587

PK$SPLASH: splash10-004i-9200000000-93a52b684132eb5938b5
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9597 1075.0 999
  96.9699 84.65 79
  171.0059 287.1 267
//