ACCESSION: MSBNK-RIKEN_ReSpect-PT200600
RECORD_TITLE: Fru(beta2-1alpha)Glc, alpha-D-Glucopyranosyl beta-D-fructofuranoside, Suc, Microse , Cane sugar, Sucrose, (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol, D-(+)-Saccharose; 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$NAME: Fru(beta2-1alpha)Glc
CH$NAME: alpha-D-Glucopyranosyl beta-D-fructofuranoside
CH$NAME: Suc
CH$NAME: Microse
CH$NAME: Cane sugar
CH$NAME: Sucrose
CH$NAME: (2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CH$NAME: D-(+)-Saccharose
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Disaccharide
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.297
CH$SMILES: C(C1C(C(C(C(O1)OC2(C(C(C(O2)CO)O)O)CO)O)O)O)O
CH$IUPAC: InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2
CH$LINK: CAS 57-50-1
CH$LINK: INCHIKEY CZMRCDWAGMRECN-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 341.10841

PK$SPLASH: splash10-0fdx-9804000000-018a029ba3843a8db2bd
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  59.0153 599.8 418
  71.0149 1149.0 800
  85.0298 142.0 99
  89.0247 986.3 687
  101.0245 816.4 569
  113.0244 480.7 335
  119.035 332.2 231
  131.0348 93.84 65
  143.0344 138.2 96
  161.0453 194.0 135
  179.0558 703.3 490
  341.1084 1434.0 999
//