MassBank Record: KO001839



 D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO001839
RECORD_TITLE: D-Sorbitol 6-phosphate; LC-ESI-QQ; MS2; CE:30 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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 261 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-002b-9000000000-b176fc35ff4f5c08fcc8 PK$NUM_PEAK: 16 PK$PEAK: m/z int. rel.int. 59.100 148515.0 3 70.700 74257.5 1 79.000 28792108.0 581 88.600 34653.5 1 92.800 351485.5 7 97.100 49534703.0 999 99.200 39604.0 1 118.900 29703.0 1 124.800 34653.5 1 126.600 34653.5 1 140.900 143564.5 3 145.300 118812.0 2 175.700 14851.5 1 224.900 9901.0 1 243.100 391089.5 8 261.100 2336636.0 47 //