MassBank Record: KO009248



 D-Sorbitol 6-phosphate; LC-ESI-IT; MS2; m/z: 263; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO009248
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-IT; MS2; m/z: 263; [M+H]+
DATE: 2011.05.10 (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

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$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.50
MS$FOCUSED_ION: PRECURSOR_M/Z 263 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+ MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis
PK$SPLASH: splash10-014i-0900000000-51d6fb44dccdd40ffc54 PK$ANNOTATION: m/z struct. num formula mass 165.0 1 1 C6H13O5 165.0763 147.1 0 1 C6H11O4 147.06573 PK$NUM_PEAK: 85 PK$PEAK: m/z int. rel.int. 69.1 290.71 2 81.1 143.72 1 83.1 547.70 4 85.1 350.97 2 86.2 24.08 1 87.1 47.85 1 88.2 13.61 1 91.0 10.34 1 99.0 372.45 3 101.1 57.90 1 103.0 6.18 1 105.0 9.82 1 107.1 15.92 1 109.1 3.39 1 109.8 24.71 1 111.1 1310.14 9 113.0 66.37 1 114.0 26.26 1 117.0 63.85 1 118.9 67.45 1 120.9 11.40 1 123.1 24.69 1 125.1 8.45 1 127.0 37.13 1 128.2 8.08 1 129.0 2345.39 17 131.0 10.18 1 134.0 112.47 1 139.2 50.71 1 140.9 26.16 1 146.0 79.35 1 147.1 41540.52 293 148.0 11.79 1 149.1 58.08 1 151.0 22.37 1 151.9 17.92 1 152.9 42.27 1 157.1 3.97 1 160.1 13.34 1 161.1 53.58 1 163.2 9.26 1 164.2 330.11 2 165.0 141659.52 999 166.0 355.50 3 166.7 84.62 1 167.4 64.37 1 170.9 28.06 1 175.1 74.12 1 176.1 7.97 1 177.2 21.34 1 182.7 69.00 1 184.1 5.42 1 185.2 47.98 1 186.1 36.11 1 187.1 31.16 1 189.1 25.19 1 192.1 23.61 1 193.1 44.16 1 203.2 106.06 1 205.0 74.72 1 207.1 122.40 1 209.1 91.35 1 217.0 28.14 1 220.2 53.08 1 221.1 89.25 1 222.7 24.00 1 225.8 16.18 1 227.0 337.99 2 228.0 9.26 1 231.2 57.91 1 234.1 134.22 1 235.3 222.85 2 238.9 64.24 1 243.9 4.95 1 245.1 2510.20 18 246.1 227.69 2 247.0 5.34 1 259.2 8.66 1 260.2 16.61 1 261.1 23.71 1 262.2 260.60 2 263.1 2016.60 14 280.9 10.90 1 302.4 4.34 1 308.1 47.08 1 //