MassBank Record: PT105370

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(3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol, 6-Deoxygalactose, Fuc, D-Galactomethylose, 6-Deoxy-D-galactopyranose, Rhodeose, D-Fucopyranose, D-(+)-Fucose; LC-ESI-QTOF; MS2

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

ACCESSION: PT105370
RECORD_TITLE: (3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol, 6-Deoxygalactose, Fuc, D-Galactomethylose, 6-Deoxy-D-galactopyranose, Rhodeose, D-Fucopyranose, D-(+)-Fucose; LC-ESI-QTOF; MS2
DATE: 2008.07.25
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC-BY-NC
COPYRIGHT: Copyright(C) 2009 Plant Science Center, RIKEN
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.
COMMENT: Build 1 2009/06/24

CH$NAME: D-(+)-Fucose
CH$NAME: 6-Deoxygalactose
CH$NAME: Fuc
CH$NAME: D-Galactomethylose
CH$NAME: 6-Deoxy-D-galactopyranose
CH$NAME: Rhodeose
CH$NAME: D-Fucopyranose
CH$NAME: (3R,4S,5R,6R)-6-methyloxane-2,3,4,5-tetrol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Monosaccharide
CH$FORMULA: C6H12O5
CH$EXACT_MASS: 164.157000000000010686562745831906795501708984375
CH$SMILES: CC1C(C(C(C(O1)O)O)O)O
CH$IUPAC: InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3
CH$LINK: CAS 3615-37-0
CH$LINK: INCHIKEY SHZGCJCMOBCMKK-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 POSITIVE
AC$MASS_SPECTROMETRY: CAPILLARY_VOLTAGE 3.0 kV
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-45 V
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: SOLVENT CH3CN/H2O

MS$FOCUSED_ION: ION_TYPE [M+H]+
MS$FOCUSED_ION: PRECURSOR_M/Z 165.07627

PK$SPLASH: splash10-01si-2900000000-b394f75565bfc841d1bb
PK$NUM_PEAK: 4
PK$PEAK: m/z int. rel.int.
  75.0483 5.246 779
  133.0549 3.502 520
  134.0584 6.731 999
  164.0685 5.935 881
//