ACCESSION: MSBNK-RIKEN_ReSpect-PT205470
RECORD_TITLE: Malbit, Amalti Syrup, 4-O-alpha-Glucopyranosyl-D-glucitol, (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol, Maltit, Maltisorb, 4-O-alpha-Glucopyranosyl-D-sorbitol, Maltitol, D-4-O-alpha-D-Glucopyranosylglucitol; 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$NAME: Malbit
CH$NAME: Amalti Syrup
CH$NAME: 4-O-alpha-Glucopyranosyl-D-glucitol
CH$NAME: (2S,3R,4R,5R)-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexane-1,2,3,5,6-pentol
CH$NAME: Maltit
CH$NAME: Maltisorb
CH$NAME: 4-O-alpha-Glucopyranosyl-D-sorbitol
CH$NAME: Maltitol
CH$NAME: D-4-O-alpha-D-Glucopyranosylglucitol
CH$COMPOUND_CLASS: CLASS1 Other CLASS2 Sugar CLASS3 Disaccharide
CH$FORMULA: C₁₂H₂₄O₁₁
CH$EXACT_MASS: 344.313
CH$SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(CO)O)O)O)O)O)O
CH$IUPAC: InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2
CH$LINK: CAS 585-88-6
CH$LINK: INCHIKEY VQHSOMBJVWLPSR-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 343.12406

PK$SPLASH: splash10-0h4x-8904000000-531835d7aaf90d58a820
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.0154 381.4 492
  71.015 619.6 799
  85.0299 94.41 122
  89.0247 579.5 747
  101.0247 538.3 694
  113.0245 278.2 359
  119.0352 227.0 293
  143.0341 79.39 102
  161.0456 111.3 144
  179.0564 446.1 575
  343.1241 774.5 999
//