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MassBank Record: KO000755

Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:20 V; [M-H]-

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

ACCESSION: KO000755
RECORD_TITLE: Fructose 1-phosphate; LC-ESI-QQ; MS2; CE:20 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: KEGG C01094
CH$LINK: NIKKAJI J219.923H
CH$LINK: PUBCHEM SID:4329
CH$LINK: INCHIKEY RHKKZBWRNHGJEZ-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 20 V

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

PK$SPLASH: splash10-0002-9100000000-2c1fb5162c76e0de8549
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  59.200 272277.5 10
  78.900 495050.0 19
  94.500 34653.5 1
  97.000 26326759.0 999
  100.800 435644.0 17
  117.100 19802.0 1
  131.200 29703.0 1
  132.200 64356.5 2
  133.100 59406.0 2
  139.200 79208.0 3
  143.300 29703.0 1
  152.800 19802.0 1
  161.100 44554.5 2
  169.100 905941.5 34
  172.100 405941.0 15
  177.400 49505.0 2
  179.300 49505.0 2
  187.100 54455.5 2
  199.300 866337.5 33
  215.700 34653.5 1
  216.400 79208.0 3
  216.700 24752.5 1
  223.200 24752.5 1
  240.600 39604.0 2
  259.100 2044556.5 78
//

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