ACCESSION: MSBNK-Keio_Univ-KO000853
RECORD_TITLE: Glucose 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 G020

CH$NAME: Glucose 1-phosphate
CH$NAME: D-Glucose alpha-1-phosphate
CH$NAME: D-Glucose 1-phosphate
CH$NAME: alpha-D-Glucose 1-phosphate
CH$NAME: Cori ester
CH$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 10 V

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

PK$SPLASH: splash10-0a4i-0090000000-2a3b56296e3be19cb31e
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  45.000 14851.5 1
  59.300 133663.5 2
  89.200 346535.0 4
  96.800 346535.0 4
  113.400 14851.5 1
  128.500 84158.5 1
  130.700 24752.5 1
  139.100 69307.0 1
  142.900 24752.5 1
  169.400 108911.0 1
  180.600 9901.0 1
  199.300 658416.5 8
  213.000 29703.0 1
  215.400 39604.0 1
  223.000 396040.0 5
  241.000 1133664.5 14
  259.100 83391172.5 999
//