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MassBank Record: PT207830

1,3-dihydroxypropan-2-yl dihydrogen phosphate, Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; LC-ESI-QTOF; MS2

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

ACCESSION: PT207830
RECORD_TITLE: 1,3-dihydroxypropan-2-yl dihydrogen phosphate, Glycerophosphate, L-Glycerol-2-phosphate Disodium Salt n-Hydrate; 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$NAME: 1,3-dihydroxypropan-2-yl dihydrogen phosphate
CH$NAME: Glycerophosphate
CH$NAME: L-Glycerol-2-phosphate Disodium Salt n-Hydrate
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C3H9O6P
CH$EXACT_MASS: 172.075
CH$SMILES: C(C(CO)OP(=O)(O)O)O
CH$IUPAC: InChI=1S/C3H9O6P/c4-1-3(2-5)9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)
CH$LINK: CAS 17181-54-3
CH$LINK: INCHIKEY DHCLVCXQIBBOPH-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$SPLASH: splash10-004i-9200000000-494acb690fc0f406808a
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  78.9596 534.1 999
  96.9702 19.33 36
  171.0059 143.8 269
//

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