MassBank Record: KO009250



 D-Sorbitol 6-phosphate; LC-ESI-IT; MS3; m/z: 263/147; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009250
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-IT; MS3; m/z: 263/147; [M+H]+
DATE: 2011.12.05 (2008.05.12)
AUTHORS: Ojima YInstitute for Advanced Biosciences, Keio Univ., Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., Soga TInstitute for Advanced Biosciences, Keio Univ., Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S049
COMMENT: [MS2] KO009248

CH$NAME: Sorbitol 6-phosphate CH$NAME: D-Sorbitol 6-phosphate CH$COMPOUND_CLASS: N/A CH$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$LINK: CHEBI 17044 CH$LINK: KEGG C01096 CH$LINK: PUBCHEM SID:4331 CH$LINK: INCHIKEY GACTWZZMVMUKNG-SLPGGIOYSA-N
AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS3 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50/0.40
MS$FOCUSED_ION: PRECURSOR_M/Z 263/147 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-014i-9100000000-f486f8ddb2bcdd7adcf9 PK$NUM_PEAK: 18 PK$PEAK: m/z int. rel.int. 55.2 4.77 3 56.9 1.92 1 61.2 15.92 9 69.1 1738.26 999 71.2 14.53 8 81.2 8.22 5 83.2 41.61 24 85.1 39.52 23 87.1 21.83 13 99.0 1.00 1 101.1 7.07 4 111.1 141.96 82 129.1 166.11 95 146.2 4.69 3 147.0 43.21 25 175.1 5.92 3 187.1 3.77 2 223.1 8.46 5 //