ACCESSION: MSBNK-RIKEN-PR100934
RECORD_TITLE: Palatinose; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M-H]-
DATE: 2016.01.19 (Created 2009.09.10, 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$NAME: Palatinose
CH$NAME: Glc(alpha1-6)Fru
CH$NAME: Isomaltulose
CH$NAME: 6-O-alpha-D-glucopyranosyl-D-fructose
CH$COMPOUND_CLASS: Disaccharide
CH$FORMULA: C₁₂H₂₂O₁₁
CH$EXACT_MASS: 342.11621
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OC[C@@H](O2)[C@@H](O)[C@H](O)C(O)(CO)2)1
CH$IUPAC: InChI=1S/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11+,12?/m1/s1
CH$LINK: CAS 15132-06-6
CH$LINK: CHEMSPIDER 388649
CH$LINK: KEGG C01742
CH$LINK: PUBCHEM CID:439559
CH$LINK: INCHIKEY PVXPPJIGRGXGCY-TZLCEDOOSA-N
CH$LINK: COMPTOX DTXSID90929736

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$MASS_SPECTROMETRY: DATE 2008.07.29
AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr
AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C
AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE LOW-ENERGY CID
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: SCANNING 1.0 sec/scan (m/z = 50-1000)
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$FOCUSED_ION: PRECURSOR_M/Z 341.10841
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0fmi-6910000000-eda0560f0c2ad1831a15
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  59.0150 34.44 372
  71.0148 76.15 822
  73.0305 7.811 84
  83.0141 5.934 64
  85.0298 9.218 99
  89.0237 55.37 598
  101.0234 92.56 999
  113.0233 27.65 298
  119.0333 25.02 270
  131.0331 8.209 89
  143.0345 11.05 119
  161.0447 19.85 214
  179.0539 78.6 848
  221.0646 54.02 583
  341.1084 5.247 57
//