ACCESSION: MSBNK-Keio_Univ-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$LINK: PUBCHEM SID:4409
CH$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 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
//