MassBank Record: PR100336



 D-Sorbitol 6-phosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PR100336
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QTOF; MS2; CE:Ramp 5-60 V; [M+H]+
DATE: 2016.01.19 (2009.09.10, 2011.05.06)
AUTHORS: Matsuda FPlant Science Center, RIKEN., Suzuki MPlant Science Center, RIKEN., Sawada YPlant Science Center, RIKEN., Plant Science Center, RIKEN.
LICENSE: CC BY-SA
COMMENT: Acquisition and generation of the data is financially supported in part by CREST/JST.

CH$NAME: D-Sorbitol-6-phosphate CH$NAME: D-Glucitol 6-phosphate CH$NAME: D-Sorbitol 6-phosphate CH$COMPOUND_CLASS: Natural Product; Alditol; Phosphates CH$FORMULA: C6H15O9P CH$EXACT_MASS: 262.04537 CH$SMILES: OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(O)(O)=O CH$IUPAC: InChI=1S/C6H15O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4+,5+,6+/m0/s1 CH$LINK: CAS 20479-58-7 CH$LINK: CHEMSPIDER 134245 CH$LINK: KEGG C01096 CH$LINK: PUBCHEM CID:152306 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N
AC$INSTRUMENT: UPLC Q-Tof Premier, Waters AC$INSTRUMENT_TYPE: LC-ESI-QTOF AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY Ramp 5-60 V AC$MASS_SPECTROMETRY: DATAFORMAT Continuum AC$MASS_SPECTROMETRY: DATE 2008.07.28 AC$MASS_SPECTROMETRY: DESOLVATION_GAS_FLOW 600.0 L/Hr AC$MASS_SPECTROMETRY: DESOLVATION_TEMPERATURE 420 C AC$MASS_SPECTROMETRY: FRAGMENTATION_METHOD LOW-ENERGY CID AC$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$CHROMATOGRAPHY: SOLVENT CH3CN(0.1%HCOOH) / H2O(0.1%HCOOH)
MS$FOCUSED_ION: PRECURSOR_M/Z 263.05317 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03dj-2960000000-a0d60cb82d98a98bd3ff PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 69.0327 58.2 333 93.0686 30.38 174 105.0691 27.56 158 121.0638 54.73 314 147.0632 33.14 190 154.9072 74.15 425 166.9069 26.82 154 182.9024 22.94 131 196.9174 56.57 324 208.9148 29.6 170 238.9268 22.11 127 263.0532 174.4 999 //