MassBank Record: KO000754

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Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000754
RECORD_TITLE: Fructose 1-phosphate; 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 F009

CH$NAME: Fructose 1-phosphate
CH$NAME: D-Fructose 1-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02972
CH$SMILES: OCC(O)C(O)C(O)C(=O)COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h3,5-8,10-11H,1-2H2,(H2,12,13,14)/t3-,5-,6-/m1/s1
CH$LINK: CAS 15978-08-2
CH$LINK: CHEBI 18105
CH$LINK: COMPTOX DTXSID20891553
CH$LINK: INCHIKEY ZKLLSNQJRLJIGT-UYFOZJQFSA-N
CH$LINK: KEGG C01094
CH$LINK: NIKKAJI J219.923H
CH$LINK: PUBCHEM SID:4329

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

PK$SPLASH: splash10-0a4i-0090000000-69e958a21781919936bb
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  59.1 198020.0 4.0
  78.6 103960.0 2.0
  79.4 14851.5 1.0
  96.8 3019800.0 62.0
  132.4 64356.5 1.0
  133.0 69307.0 1.0
  161.3 24752.5 1.0
  169.1 702971.0 14.0
  172.2 79208.0 2.0
  177.0 19802.0 1.0
  179.0 64356.5 1.0
  186.9 168317.0 3.0
  191.3 19802.0 1.0
  199.2 777228.0 16.0
  215.7 158416.0 3.0
  241.1 44554.5 1.0
  259.1 4.84456E7 999.0
//