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MassBank Record: KO000748

D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000748
RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M-H]-
DATE: 2016.01.19 (Created 2007.07.07, modified 2012.10.22)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F001

CH$NAME: Fructose 6-phosphate
CH$NAME: Neuberg ester
CH$NAME: D-Fructose 6-phosphoric acid
CH$NAME: D-Fructose 6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02972
CH$SMILES: OCC(O)(O1)C(O)C(O)C(COP(O)(O)=O)1
CH$IUPAC: InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1
CH$LINK: CAS 643-13-0
CH$LINK: CHEBI 15946
CH$LINK: KEGG C00085
CH$LINK: NIKKAJI J92.807K
CH$LINK: PUBCHEM SID:3385
CH$LINK: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N

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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 259
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-07895e6c6f3e4a816391
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42.100 44554.5 2
  42.800 34653.5 1
  45.000 79208.0 3
  45.900 19802.0 1
  55.200 84158.5 3
  57.400 79208.0 3
  59.100 11430704.5 445
  61.300 178218.0 7
  68.800 29703.0 1
  71.000 485149.0 19
  72.800 99010.0 4
  78.400 133663.5 5
  79.000 25683194.0 999
  85.000 29703.0 1
  97.100 8638622.5 336
  100.700 44554.5 2
  106.900 19802.0 1
  115.500 29703.0 1
  144.700 34653.5 1
  145.200 99010.0 4
  172.200 79208.0 3
//

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