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MassBank Record: KO000811

D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 V; [M-H]-

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

ACCESSION: KO000811
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 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 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 NEGATIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V

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

PK$SPLASH: splash10-0002-9000000000-f6e1147852f75db4c0a4
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  59.200 341584.5 7
  69.400 14851.5 1
  71.000 103960.5 2
  73.200 54455.5 1
  78.800 11435655.0 241
  83.000 44554.5 1
  86.900 44554.5 1
  88.900 34653.5 1
  96.400 381188.5 8
  96.900 47455493.0 999
  101.300 242574.5 5
  113.600 14851.5 1
  114.200 54455.5 1
  117.500 29703.0 1
  125.200 49505.0 1
  138.900 2331685.5 49
  143.100 74257.5 2
  151.200 89109.0 2
  161.200 717822.5 15
  169.100 143564.5 3
  180.900 39604.0 1
  199.400 722773.0 15
  259.300 54455.5 1
//

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