ACCESSION: MSBNK-RIKEN-PR100705
RECORD_TITLE: Maltitol; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2010.06.21, modified 2011.05.06)
AUTHORS: Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: Maltitol
CH$NAME: Malbit
CH$NAME: Maltisorb
CH$NAME: Maltit
CH$NAME: 4-O-alpha-Glucopyranosyl-D-glucitol
CH$NAME: 4-O-alpha-Glucopyranosyl-D-sorbitol
CH$NAME: D-4-O-alpha-D-Glucopyranosylglucitol
CH$NAME: Amalti Syrup
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₄O₁₁
CH$EXACT_MASS: 344.13186
CH$SMILES: OCC(O)C(O)C([H])(C(O)CO)OC(O1)C(O)C(O)C(O)C(CO)1
CH$IUPAC: InChI=1S/C12H24O11/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12/h4-21H,1-3H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+/m0/s1
CH$LINK: CAS 585-88-6
CH$LINK: CHEMSPIDER 432001
CH$LINK: PUBCHEM CID:493591
CH$LINK: INCHIKEY VQHSOMBJVWLPSR-WUJBLJFYSA-N

AC$INSTRUMENT: UPLC Q-Tof Premier, Waters
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V
AC$MASS_SPECTROMETRY: DATAFORMAT Continuum
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 400 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SOURCE_TEMPERATURE 120 C
AC$CHROMATOGRAPHY: CAPILLARY_VOLTAGE 3.0 kV
AC$CHROMATOGRAPHY: SAMPLING_CONE 23.0 V
AC$CHROMATOGRAPHY: SOLVENT A CH3CN(0.1%HCOOH)
AC$CHROMATOGRAPHY: SOLVENT B H2O(0.1%HCOOH)

MS$FOCUSED_ION: PRECURSOR_M/Z 343.12406
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0h4x-8904000000-531835d7aaf90d58a820
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  59.0154 381.4 492
  71.0150 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 227 293
  143.0341 79.39 102
  161.0456 111.3 144
  179.0564 446.1 575
  343.1241 774.5 999
//