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MassBank Record: MSBNK-RIKEN_ReSpect-PT112460

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol, Palatinose Monohydrate, Glc(alpha1-6)Fru, 6-O-alpha-D-glucopyranosyl-D-fructose, Isomaltulose; LC-ESI-QTOF; MS2

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-RIKEN_ReSpect-PT112460
RECORD_TITLE: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol, Palatinose Monohydrate, Glc(alpha1-6)Fru, 6-O-alpha-D-glucopyranosyl-D-fructose, Isomaltulose; 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$NAME: (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methoxy]oxane-3,4,5-triol
CH$NAME: Palatinose Monohydrate
CH$NAME: Glc(alpha1-6)Fru
CH$NAME: 6-O-alpha-D-glucopyranosyl-D-fructose
CH$NAME: Isomaltulose
CH$COMPOUND_CLASS: CLASS1 Flavonoid CLASS2 Flavanone CLASS3 Sakuranetin
CH$FORMULA: C12H22O11
CH$EXACT_MASS: 342.297
CH$SMILES: C(C1C(C(C(C(O1)OCC2C(C(C(O2)(CO)O)O)O)O)O)O)O
CH$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
CH$LINK: CAS 15132-06-6
CH$LINK: INCHIKEY PVXPPJIGRGXGCY-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 POSITIVE
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 343.12401

PK$SPLASH: splash10-004l-2590000000-38505eac02abd9244427
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  85.0284 7.603 226
  97.0279 6.244 186
  99.5072 8.255 246
  127.0355 5.063 151
  178.9655 13.75 410
  192.9773 33.54 999
  206.941 3.404 101
  210.9899 3.915 117
  236.8958 4.84 144
  250.9116 11.01 328
  274.9148 3.496 104
  276.9304 22.96 684
  278.9421 18.87 562
  280.9548 6.926 206
  296.9911 12.66 377
  343.0038 3.751 112
//

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