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MassBank Record: KO004043

D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+

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

ACCESSION: KO004043
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 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 POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V

MS$FOCUSED_ION: PRECURSOR_M/Z 263
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-001i-9520000000-85907edcda67a134543a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  45.800 44554.5 40
  62.700 193069.5 173
  69.000 29703.0 27
  72.700 19802.0 18
  76.900 188119.0 169
  81.200 34653.5 31
  83.300 1113862.5 999
  86.700 24752.5 22
  98.700 19802.0 18
  101.000 19802.0 18
  104.900 113861.5 102
  109.000 123762.5 111
  111.400 39604.0 36
  113.300 84158.5 75
  121.100 128713.0 115
  129.100 54455.5 49
  129.800 39604.0 36
  146.900 59406.0 53
  154.700 24752.5 22
  158.400 19802.0 18
  169.200 49505.0 44
  191.000 39604.0 36
  195.100 217822.0 195
  203.200 356436.0 320
  246.500 29703.0 27
  263.200 108911.0 98
//

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