ACCESSION: MSBNK-Keio_Univ-KO009248
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-IT; MS2; m/z: 263; [M+H]+
DATE: 2011.05.10 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, 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
  147.1 0 1 C6H11O4 147.06573
  165.0 1 1 C6H13O5 165.0763
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
//