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MassBank Record: KO001758

Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: KO001758
RECORD_TITLE: Ribulose 1,5-diphosphate; LC-ESI-QQ; MS2; CE:40 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 40 V

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

PK$SPLASH: splash10-002b-9000000000-6cf91f3f18e507c2bbd2
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  58.800 316832.0 95
  73.100 207921.0 62
  79.000 1787130.5 535
  85.500 24752.5 7
  92.000 24752.5 7
  92.900 49505.0 15
  97.000 3336637.0 999
  128.700 19802.0 6
  139.200 74257.5 22
  159.300 188119.0 56
  177.300 34653.5 10
//

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