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MassBank Record: KO002914

D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 V; [M+H]+

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

ACCESSION: KO002914
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0006-0890000000-7e2827ee2639cafe11bc
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  81.100 242574.5 16
  81.900 198020.0 13
  89.000 14851.5 1
  98.800 143564.5 9
  100.500 74257.5 5
  102.700 29703.0 2
  117.200 678218.5 44
  117.900 371287.5 24
  127.100 3638617.5 237
  128.100 3648518.5 238
  128.900 9901.0 1
  133.200 113861.5 7
  139.300 19802.0 1
  139.900 14851.5 1
  145.200 44554.5 3
  145.800 39604.0 3
  146.500 9901.0 1
  153.200 29703.0 2
  157.200 49505.0 3
  158.100 69307.0 5
  160.300 14851.5 1
  163.100 7410898.5 484
  171.400 49505.0 3
  177.400 24752.5 2
  182.500 19802.0 1
  185.200 79208.0 5
  197.400 138614.0 9
  198.400 14851.5 1
  201.200 108911.0 7
  202.900 29703.0 2
  205.200 54455.5 4
  207.100 89109.0 6
  208.300 326733.0 21
  212.400 24752.5 2
  225.200 84158.5 5
  226.200 301980.5 20
  229.400 237624.0 16
  243.400 539604.5 35
  244.400 15306946.0 999
  261.300 584159.0 38
//

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