ACCESSION: MSBNK-Keio_Univ-KO009250
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-IT; MS3; m/z: 263/147; [M+H]+
DATE: 2011.12.05 (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
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
//