MassBank Record: KO001859



 Sedoheptulose 7-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: KO001859
RECORD_TITLE: Sedoheptulose 7-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-
DATE: 2016.01.19 (Created 2010.02.10, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID S083

CH$NAME: Sedoheptulose 7-phosphate CH$NAME: altro-Heptulose 7-phosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C7H15O10P CH$EXACT_MASS: 290.04028 CH$SMILES: OCC(=O)C(O)C(O)C(O)C(O)COP(O)(O)=O CH$IUPAC: InChI=1S/C7H15O10P/c8-1-3(9)5(11)7(13)6(12)4(10)2-17-18(14,15)16/h4-8,10-13H,1-2H2,(H2,14,15,16) CH$LINK: CAS 2646-35-7 CH$LINK: CHEBI 15721 CH$LINK: KEGG C05382 CH$LINK: PUBCHEM SID:3576
AC$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$FOCUSED_ION: PRECURSOR_M/Z 289 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9230000000-5b5fa1051ead9f4af84b PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 36.700 9901.0 2 45.900 14851.5 3 59.100 301980.5 68 79.000 485149.0 109 83.200 24752.5 6 97.000 4460400.5 999 101.200 44554.5 10 103.000 39604.0 9 113.400 19802.0 4 114.900 103960.5 23 120.200 34653.5 8 124.300 138614.0 31 125.100 351485.5 79 132.700 19802.0 4 136.900 19802.0 4 139.000 361386.5 81 141.300 79208.0 18 169.300 59406.0 13 184.200 39604.0 9 194.300 39604.0 9 197.400 183168.5 41 197.600 64356.5 14 198.900 89109.0 20 199.400 59406.0 13 210.000 826733.5 185 212.000 920793.0 206 229.200 39604.0 9 247.200 14851.5 3 289.500 19802.0 4 //