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MassBank Record: KO009249

D-Sorbitol 6-phosphate; LC-ESI-IT; MS3; m/z: 263/165; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO009249
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-IT; MS3; m/z: 263/165; [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$FOCUSED_ION: PRECURSOR_M/Z 263/165
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0002-1900000000-a61e280bc5a079ad2e4f
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  55.4 1.85 1
  57.3 8.15 1
  61.2 8.08 1
  69.1 1731.79 185
  70.1 1.00 1
  71.1 18.15 2
  75.2 1.38 1
  81.1 8.54 1
  83.1 88.15 9
  85.1 33.92 4
  87.0 4.23 1
  88.4 3.77 1
  99.1 5.69 1
  101.2 2.69 1
  109.0 2.08 1
  111.0 169.54 18
  117.0 6.15 1
  129.0 373.37 40
  146.2 7.69 1
  147.0 9370.33 999
  148.0 2.38 1
  165.1 761.44 81
  174.2 1.08 1
  201.1 11.85 1
  225.2 9.00 1
//

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