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MassBank Record: KO000656

2-Deoxyglucose 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: KO000656
RECORD_TITLE: 2-Deoxyglucose 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 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 30 V

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

PK$SPLASH: splash10-002b-9000000000-da060436dc755d8a04eb
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  45.000 24752.5 1
  57.000 54455.5 2
  59.300 311881.5 13
  79.000 11960408.0 514
  84.900 836634.5 36
  92.400 19802.0 1
  96.900 23247548.0 999
  98.600 24752.5 1
  107.800 14851.5 1
  121.100 89109.0 4
  138.900 1836635.5 79
  161.000 9901.0 1
  169.000 89109.0 4
  171.300 29703.0 1
  187.300 49505.0 2
  189.300 19802.0 1
  199.100 24752.5 1
  207.100 19802.0 1
  243.400 84158.5 4
//

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