MassBank Record: KO004042



 D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO004042
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:10 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$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 263 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0gwg-2690000000-07b918727b2057fef99b PK$NUM_PEAK: 39 PK$PEAK: m/z int. rel.int. 83.000 811882.0 712 87.000 19802.0 17 91.300 34653.5 30 100.700 44554.5 39 105.000 54455.5 48 109.200 188119.0 165 111.800 34653.5 30 113.700 79208.0 69 120.200 14851.5 13 120.900 84158.5 74 123.000 34653.5 30 137.300 24752.5 22 142.000 14851.5 13 142.900 955446.5 838 145.000 202970.5 178 146.700 64356.5 56 147.400 29703.0 26 156.900 59406.0 52 159.200 59406.0 52 160.600 9901.0 9 165.400 173267.5 152 169.100 44554.5 39 174.100 19802.0 17 184.100 9901.0 9 187.200 103960.5 91 190.900 24752.5 22 194.700 193069.5 169 198.200 29703.0 26 199.500 29703.0 26 203.000 1138615.0 999 203.600 153465.5 135 212.900 143564.5 126 217.600 44554.5 39 218.900 19802.0 17 227.200 94059.5 83 231.000 84158.5 74 245.300 346535.0 304 246.400 351485.5 308 263.200 965347.5 847 //