ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM SID:4409
CH$LINK: INCHIKEY YAHZABJORDUQGO-NQXXGFSBSA-N
CH$LINK: COMPTOX DTXSID30173837

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
//