MassBank Record: KO001756



 Ribulose 1,5-diphosphate; 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: KO001756
RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID R005

CH$NAME: Ribulose 1,5-diphosphate CH$NAME: D-Ribulose 1,5-bisphosphate CH$COMPOUND_CLASS: N/A CH$FORMULA: C5H12O11P2 CH$EXACT_MASS: 309.98548 CH$SMILES: O[C@H](COP(O)(O)=O)[C@@H](O)C(=O)COP(O)(O)=O CH$IUPAC: InChI=1S/C5H12O11P2/c6-3(1-15-17(9,10)11)5(8)4(7)2-16-18(12,13)14/h3,5-6,8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,5-/m1/s1 CH$LINK: CAS 24218-00-6 CH$LINK: CHEBI 16710 CH$LINK: KEGG C01182 CH$LINK: PUBCHEM SID:4409
AC$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$FOCUSED_ION: PRECURSOR_M/Z 309 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9223000000-bfa6706a59d37f36da10 PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 59.200 356436.0 94 73.100 143564.5 38 79.000 64356.5 17 93.200 59406.0 16 97.000 3797033.5 999 104.500 39604.0 10 127.700 19802.0 5 129.000 64356.5 17 130.600 24752.5 7 138.900 128713.0 34 142.900 24752.5 7 151.000 24752.5 7 154.800 64356.5 17 156.700 19802.0 5 165.200 54455.5 14 168.800 9901.0 3 174.700 14851.5 4 177.200 336634.0 89 180.900 64356.5 17 189.300 44554.5 12 193.100 188119.0 49 203.400 19802.0 5 211.200 688119.5 181 227.000 108911.0 29 236.700 44554.5 12 241.000 59406.0 16 247.800 19802.0 5 249.200 84158.5 22 252.700 19802.0 5 265.200 29703.0 8 277.600 222772.5 59 291.300 54455.5 14 309.200 1579209.5 415 //