ACCESSION: MSBNK-RIKEN_ReSpect-PT202020
RECORD_TITLE: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate , D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae, (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol, alpha-alpha-Trehalose, Mycose, Glc(alpha1-1alpha)Glc; 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$NAME: alpha-D-Glucopyranosyl-alpha-D-glucopyranoside dihydrate
CH$NAME: D-(+)-Trehalose dihydrate,from Saccharomyces cerevisiae
CH$NAME: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CH$NAME: alpha-alpha-Trehalose
CH$NAME: Mycose
CH$NAME: Glc(alpha1-1alpha)Glc
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)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
CH$IUPAC: InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2
CH$LINK: CAS 99-20-7
CH$LINK: INCHIKEY HDTRYLNUVZCQOY-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$SPLASH: splash10-0fdx-8905000000-f4b4b3ad528ea3bf43c2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.0152 355.5 386
  71.0148 581.4 631
  85.0298 91.98 100
  89.0249 516.9 561
  101.0245 592.9 644
  113.0245 261.1 284
  119.0348 212.6 231
  143.0354 82.99 90
  161.0457 107.0 116
  179.0561 385.5 419
  341.1084 920.0 999
//