MassBank Record: KO002918

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D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 V; [M+H]+

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

ACCESSION: KO002918
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 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 50 V

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

PK$SPLASH: splash10-03gi-9600000000-b0ab13cb7b2153f52f56
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  43.200 79208.0 165
  44.200 24752.5 51
  46.200 39604.0 82
  55.100 193069.5 402
  56.000 158416.0 330
  69.100 287129.0 597
  69.900 153465.5 319
  71.200 94059.5 196
  72.300 44554.5 93
  73.300 207921.0 433
  74.000 163366.5 340
  74.400 14851.5 31
  80.800 79208.0 165
  82.100 381188.5 793
  83.500 64356.5 134
  84.100 207921.0 433
  85.100 138614.0 288
  100.100 59406.0 124
  109.400 118812.0 247
  110.200 480198.5 999
  111.000 306931.0 639
  118.600 24752.5 51
  127.000 420792.5 875
  128.100 341584.5 711
//