MassBank Record: KO000747

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D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO000747
RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:40 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$EXACT_MASS: 260.02971999999999752617441117763519287109375
CH$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: INCHIKEY BGWGXPAPYGQALX-VRPWFDPXSA-N
CH$LINK: KEGG C00085
CH$LINK: NIKKAJI J92.807K
CH$LINK: PUBCHEM SID:3385

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

PK$SPLASH: splash10-054k-9000000000-96a6e03a3539255e4fa8
PK$NUM_PEAK: 35
PK$PEAK: m/z int. rel.int.
  35.100 39604.0 2
  42.100 54455.5 3
  45.000 128713.0 6
  54.900 54455.5 3
  57.400 49505.0 2
  59.100 18034671.5 829
  59.900 29703.0 1
  61.300 212871.5 10
  69.200 19802.0 1
  71.000 519802.5 24
  73.100 183168.5 8
  79.000 19584178.0 900
  81.500 44554.5 2
  83.100 84158.5 4
  85.200 49505.0 2
  89.200 74257.5 3
  93.300 34653.5 2
  94.800 19802.0 1
  95.500 29703.0 1
  97.000 21727744.5 999
  99.200 49505.0 2
  101.300 148515.0 7
  106.800 99010.0 5
  115.200 153465.5 7
  117.000 99010.0 5
  120.900 74257.5 3
  123.000 14851.5 1
  131.300 94059.5 4
  139.200 361386.5 17
  145.100 153465.5 7
  151.200 123762.5 6
  161.000 29703.0 1
  171.500 24752.5 1
  172.100 564357.0 26
  199.600 133663.5 6
//