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MassBank Record: KO000804

Glucose; LC-ESI-QQ; MS2; CE:10 V; [M-H]-

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

ACCESSION: KO000804
RECORD_TITLE: Glucose; 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 G002

CH$NAME: Glucose
CH$NAME: Grape sugar
CH$NAME: Dextrose
CH$NAME: D-Glucose
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H12O6
CH$EXACT_MASS: 180.06339
CH$SMILES: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)C(O)1
CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1
CH$LINK: CAS 50-99-7
CH$LINK: CHEBI 17634
CH$LINK: KEGG C00031
CH$LINK: NIKKAJI J4.109B
CH$LINK: PUBCHEM SID:3333
CH$LINK: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-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$FOCUSED_ION: PRECURSOR_M/Z 179
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-000i-7900000000-9a673c2e4b82ca397421
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  59.000 514852.0 38
  71.200 1178219.0 87
  87.400 207921.0 15
  89.000 13539617.5 999
  97.200 564357.0 42
  98.700 14851.5 1
  101.200 935644.5 69
  107.200 574258.0 42
  113.000 1881190.0 139
  118.900 6198026.0 457
  124.600 79208.0 6
  130.800 628713.5 46
  143.000 777228.5 57
  148.900 683169.0 50
  161.100 1123763.5 83
  179.100 5970303.0 441
//

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