MassBank Record: KO001838



 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: KO001838
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 NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 261 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-03di-4090000000-09f8d1a625ba54c9d70b PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 59.100 74257.5 1 79.100 13262389.5 179 89.200 64356.5 1 93.100 440594.5 6 95.400 14851.5 1 96.800 22638636.5 305 119.300 64356.5 1 141.300 445545.0 6 145.100 64356.5 1 152.900 69307.0 1 163.100 34653.5 1 170.800 39604.0 1 178.800 69307.0 1 187.300 49505.0 1 199.500 69307.0 1 201.400 84158.5 1 203.200 113861.5 2 228.300 29703.0 1 229.100 19802.0 1 243.200 995050.5 13 259.900 19802.0 1 261.000 74079282.0 999 //