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MassBank Record: KO002915

D-Glucose 6-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: KO002915
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:20 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: 260.02972
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$LINK: KEGG C00092
CH$LINK: NIKKAJI J40.066A J166.116G
CH$LINK: PUBCHEM SID:3392
CH$LINK: INCHIKEY NBSCHQHZLSJFNQ-GASJEMHNSA-N

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 20 V

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

PK$SPLASH: splash10-004i-0900000000-b84eb7685667fa7ee85e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57.100 44554.5 6
  70.700 64356.5 9
  73.100 74257.5 11
  80.800 306931.0 44
  82.100 168317.0 24
  99.200 574258.0 81
  100.300 564357.0 80
  110.400 24752.5 4
  113.000 9901.0 1
  117.200 2440596.5 346
  118.100 1935645.5 274
  127.200 6425749.0 911
  128.100 7044561.5 999
  143.200 14851.5 2
  145.100 876238.5 124
  145.600 153465.5 22
  146.500 14851.5 2
  163.300 2737626.5 388
  170.900 14851.5 2
  197.100 19802.0 3
  207.300 49505.0 7
  225.900 29703.0 4
  229.300 39604.0 6
  244.100 222772.5 32
//

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