ACCESSION: MSBNK-Keio_Univ-KO001755
RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

MS$FOCUSED_ION: PRECURSOR_M/Z 309
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-0019000000-fd45006df49c45fccf38
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  59.100 148515.0 16
  97.100 222772.5 23
  127.300 39604.0 4
  128.800 29703.0 3
  211.100 59406.0 6
  217.200 29703.0 3
  241.200 59406.0 6
  244.700 9901.0 1
  249.000 79208.0 8
  265.300 39604.0 4
  271.300 163366.5 17
  273.100 118812.0 13
  277.300 732674.0 77
  290.700 54455.5 6
  309.200 9470306.5 999
//