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MassBank Record: KO000756

Fructose 1-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: KO000756
RECORD_TITLE: Fructose 1-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 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 30 V

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

PK$SPLASH: splash10-0002-9000000000-e09c7fb98107400c1280
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  58.800 173267.5 8
  72.900 59406.0 3
  78.900 2693072.0 128
  89.500 24752.5 1
  92.900 24752.5 1
  97.000 20990120.0 999
  101.000 430693.5 20
  105.100 24752.5 1
  124.900 19802.0 1
  130.600 34653.5 2
  131.300 14851.5 1
  144.800 14851.5 1
  150.800 14851.5 1
  172.200 430693.5 20
  199.300 331683.5 16
  258.900 29703.0 1
//

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