MassBank Record: KO002916

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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: KO002916
RECORD_TITLE: D-Glucose 6-phosphate; LC-ESI-QQ; MS2; CE:30 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 30 V

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

PK$SPLASH: splash10-004i-2900000000-d4a0d51bb6e2da28533a
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  39.000 59406.0 10
  43.200 29703.0 5
  46.200 19802.0 3
  57.100 49505.0 8
  68.900 262376.5 44
  71.000 143564.5 24
  71.300 54455.5 9
  71.900 79208.0 13
  72.800 400990.5 68
  74.000 311881.5 53
  81.300 282178.5 48
  82.300 1000001.0 168
  83.900 103960.5 18
  89.700 14851.5 3
  98.900 930694.0 157
  100.100 1103961.5 186
  100.700 14851.5 3
  104.300 14851.5 3
  105.400 19802.0 3
  109.000 49505.0 8
  110.000 148515.0 25
  111.100 103960.5 18
  117.200 1168318.0 197
  118.300 861387.0 145
  120.200 14851.5 3
  127.200 4103964.5 691
  128.000 5930699.0 999
  140.900 34653.5 6
  145.100 287129.0 48
  146.300 158416.0 27
  147.400 14851.5 3
  163.200 183168.5 31
//