MassBank Record: PT207730

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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
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n
metabolomics-usi visualisation

ACCESSION: 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 //