ACCESSION: MSBNK-Keio_Univ-KO000654
RECORD_TITLE: 2-Deoxyglucose 6-phosphate; LC-ESI-QQ; MS2; CE:10 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 10 V

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

PK$SPLASH: splash10-0006-0090000000-e1847b1633d470dfa63d
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  59.400 34653.5 1
  78.600 69307.0 1
  89.200 39604.0 1
  96.900 1504952.0 19
  121.000 94059.5 1
  142.500 14851.5 1
  144.900 113861.5 1
  183.600 103960.5 1
  196.600 14851.5 1
  199.400 361386.5 4
  206.900 99010.0 1
  225.400 1386140.0 17
  243.200 80841665.0 999
  244.800 14851.5 1
//