MassBank Record: KO000757

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Fructose 1-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: KO000757
RECORD_TITLE: Fructose 1-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 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(O1)C(O)C(O)C(O)1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6?/m1/s1
CH$LINK: CAS 15978-08-2
CH$LINK: CHEBI 18105
CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-VRPWFDPXSA-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 40 V

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

PK$SPLASH: splash10-002b-9000000000-ea4d3957b170b754ad3c
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.7 29703.0 3.0
  59.4 133664.0 11.0
  73.4 94059.5 8.0
  79.1 8297040.0 712.0
  85.5 24752.5 2.0
  86.9 34653.5 3.0
  96.9 1.16436E7 999.0
  100.9 113862.0 10.0
  138.5 19802.0 2.0
  172.2 173268.0 15.0
//