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MassBank Record: KO000658

2-Deoxyglucose 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: KO000658
RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:50 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 D101

CH$NAME: 2-Deoxyglucose 6-phosphate
CH$NAME: 2-Deoxy-D-glucose 6-phosphate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H13O8P
CH$EXACT_MASS: 244.03480
CH$SMILES: OC(C1)O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)1
CH$IUPAC: InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5?,6+/m1/s1
CH$LINK: CHEBI 16043
CH$LINK: KEGG C06369
CH$LINK: PUBCHEM SID:8605
CH$LINK: INCHIKEY UQJFZAAGZAYVKZ-CERMHHMHSA-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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 243
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-004i-9000000000-6e55138944b3fe41a1b9
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  42.800 39604.0 2
  55.300 118812.0 5
  57.100 84158.5 4
  59.200 84158.5 4
  71.100 34653.5 2
  79.100 21658437.5 999
  80.300 14851.5 1
  83.900 34653.5 2
  84.900 148515.0 7
  97.100 3376241.0 156
  104.900 9901.0 1
  121.000 39604.0 2
  138.600 14851.5 1
//

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