ACCESSION: MSBNK-Keio_Univ-KO001837
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, 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$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 261
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-03di-0090000000-69dca5fddda32122208d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  45.200 29703.0 1
  59.000 29703.0 1
  78.900 118812.0 1
  93.100 282178.5 1
  97.000 198020.0 1
  115.000 19802.0 1
  131.600 9901.0 1
  141.000 193069.5 1
  152.800 49505.0 1
  171.200 178218.0 1
  179.000 103960.5 1
  199.300 49505.0 1
  200.900 301980.5 2
  202.800 14851.5 1
  217.100 14851.5 1
  228.800 19802.0 1
  231.200 29703.0 1
  242.800 59406.0 1
  243.800 24752.5 1
  261.100 197193266.5 999
//