MassBank Record: 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) \n

ACCESSION: 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 FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., 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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