MassBank Record: KO001757



 Ribulose 1,5-diphosphate; 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: KO001757
RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:30 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 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 309 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0002-9100000000-fb94d1c49e2e2fbd4e5b PK$NUM_PEAK: 22 PK$PEAK: m/z int. rel.int. 59.200 405941.0 94 73.100 282178.5 65 79.000 673268.0 155 85.100 39604.0 9 92.500 24752.5 6 97.100 4336638.0 999 122.600 14851.5 3 137.200 79208.0 18 139.000 257426.0 59 150.800 39604.0 9 158.800 217822.0 50 165.300 49505.0 11 168.800 59406.0 14 170.800 9901.0 2 177.000 217822.0 50 177.500 29703.0 7 181.000 24752.5 6 183.200 19802.0 5 193.100 64356.5 15 200.700 9901.0 2 211.000 148515.0 34 227.000 24752.5 6 //