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MassBank Record: KO000949

Glucose 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: KO000949
RECORD_TITLE: Glucose 1-phosphate; LC-ESI-QQ; MS2; CE:20 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 G115

CH$NAME: Glucose 1-phosphate(2)
CH$NAME: D-Glucose alpha-1-phosphate
CH$NAME: D-Glucose 1-phosphate
CH$NAME: alpha-D-Glucose 1-phosphate
CH$NAME: Cori ester
CH$NAME: Glucose 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)C1OP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
CH$LINK: CAS 59-56-3
CH$LINK: CHEBI 16077
CH$LINK: KEGG C00103
CH$LINK: NIKKAJI J40.065C
CH$LINK: PUBCHEM SID:3403
CH$LINK: INCHIKEY HXXFSFRBOHSIMQ-VFUOTHLCSA-N
CH$LINK: COMPTOX DTXSID90889321

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$SPLASH: splash10-0a4i-5090000000-d986f523677b1a7addcd
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.200 202970.5 5
  79.000 15386154.0 403
  86.900 19802.0 1
  89.100 79208.0 2
  97.000 9673277.0 254
  117.100 24752.5 1
  124.700 29703.0 1
  131.000 39604.0 1
  138.800 193069.5 5
  142.700 24752.5 1
  169.300 792080.0 21
  199.400 688119.5 18
  241.200 247525.0 6
  259.200 38103998.5 999
//

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