ACCESSION: MSBNK-RIKEN_ReSpect-PT207730
RECORD_TITLE: D(-)-Gulono-gamma-lactone, gamma-Gulonolactone, D(-)-Gulono-1,4-lactone, D-(-)-Gulonic Acid gamma-Lactone, (3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one; 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$NAME: D(-)-Gulono-gamma-lactone
CH$NAME: gamma-Gulonolactone
CH$NAME: D(-)-Gulono-1,4-lactone
CH$NAME: D-(-)-Gulonic Acid gamma-Lactone
CH$NAME: (3R,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyoxolan-2-one
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Other CLASS3 Other
CH$FORMULA: C₆H₁₀O₆
CH$EXACT_MASS: 178.14
CH$SMILES: C(C(C1C(C(C(=O)O1)O)O)O)O
CH$IUPAC: InChI=1S/C6H10O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2-5,7-10H,1H2
CH$LINK: INCHIKEY SXZYCXMUPBBULW-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 177.03994

PK$SPLASH: splash10-004i-9700000000-d21bd8f05ca67f9057fe
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.0159 16.88 447
  71.0148 26.11 691
  75.011 9.898 262
  85.0297 10.67 282
  89.0251 15.42 408
  99.008 12.96 343
  111.0065 6.31 167
  129.0201 23.81 630
  141.0181 9.024 239
  159.8837 3.635 96
  177.0399 37.76 999
//