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) \n

ACCESSION: KO004043
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M+H]+
DATE: 2016.01.19 (2007.07.07, 2011.05.10)
AUTHORS: Kakazu YInstitute for Advanced Biosciences, Keio Univ., Horai HInstitute for Advanced Biosciences, Keio Univ., 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 //