MassBank Record: KO002917

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D-Glucose 6-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: KO002917
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (Created 2010.08.06, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID G003

CH$NAME: Glucose 6-phosphate
CH$NAME: D-Glucose 6-phosphate
CH$NAME: Robison ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O9P
CH$EXACT_MASS: 260.02971999999999752617441117763519287109375
CH$SMILES: OC(O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]1COP(O)(O)=O
CH$IUPAC: InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: CAS 56-73-5
CH$LINK: CHEBI 15954
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N
CH$LINK: KEGG C00092
CH$LINK: NIKKAJI J40.066A J166.116G
CH$LINK: PUBCHEM SID:3392

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V

MS$FOCUSED_ION: PRECURSOR_M/Z 261
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-004i-6900000000-dfb5bcbd9a7439c32352
PK$NUM_PEAK: 31
PK$PEAK: m/z int. rel.int.
  39.100 24752.5 11
  43.100 69307.0 32
  44.200 69307.0 32
  45.300 39604.0 18
  52.800 19802.0 9
  55.100 89109.0 41
  56.000 108911.0 50
  66.800 9901.0 5
  69.000 455446.0 209
  70.100 257426.0 118
  71.100 198020.0 91
  72.000 138614.0 64
  73.000 455446.0 209
  73.700 227723.0 105
  80.100 24752.5 11
  81.000 143564.5 66
  82.200 1237625.0 569
  84.300 366337.0 168
  85.100 94059.5 43
  86.900 24752.5 11
  99.000 277228.0 127
  100.100 475248.0 218
  100.500 49505.0 23
  109.100 222772.5 102
  110.000 559406.5 257
  111.100 301980.5 139
  117.100 153465.5 71
  118.100 128713.0 59
  120.500 14851.5 7
  127.200 1693071.0 778
  128.300 2173269.5 999
//