MassBank Record: KO000746

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D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000746
RECORD_TITLE: D-Fructose 6-phosphate; LC-ESI-QQ; MS2; CE:30 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: 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 30 V

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

PK$SPLASH: splash10-0002-9100000000-51c3f5ca7ef3f190f1df
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  42.0 84158.5 2.0
  45.3 153466.0 4.0
  55.3 39604.0 1.0
  59.1 1.85495E7 479.0
  61.1 321782.0 8.0
  69.0 24752.5 1.0
  71.2 202970.0 5.0
  72.9 128713.0 3.0
  77.1 198020.0 5.0
  79.0 1.20891E7 312.0
  83.3 128713.0 3.0
  85.3 44554.5 1.0
  86.9 69307.0 2.0
  88.8 103960.0 3.0
  89.3 99010.0 3.0
  90.7 19802.0 1.0
  93.2 84158.5 2.0
  94.8 108911.0 3.0
  96.3 84158.5 2.0
  97.0 3.86733E7 999.0
  99.1 148515.0 4.0
  101.0 698020.0 18.0
  103.0 94059.5 2.0
  106.1 14851.5 1.0
  107.0 217822.0 6.0
  113.0 54455.5 1.0
  115.0 272278.0 7.0
  116.4 158416.0 4.0
  117.1 297030.0 8.0
  119.1 846536.0 22.0
  120.3 79208.0 2.0
  121.3 242574.0 6.0
  126.7 9901.0 1.0
  131.0 242574.0 6.0
  133.0 29703.0 1.0
  134.0 94059.5 2.0
  135.4 29703.0 1.0
  137.5 39604.0 1.0
  139.3 2346540.0 61.0
  140.9 148515.0 4.0
  143.0 24752.5 1.0
  145.2 84158.5 2.0
  151.3 1039600.0 27.0
  154.9 29703.0 1.0
  161.2 143564.0 4.0
  162.8 24752.5 1.0
  169.0 188119.0 5.0
  172.3 1470300.0 38.0
  183.3 24752.5 1.0
  198.8 148515.0 4.0
  199.5 3272280.0 85.0
  213.1 49505.0 1.0
  227.1 69307.0 2.0
  241.5 59406.0 2.0
//