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MassBank Record: KO000808

Glucose; LC-ESI-QQ; MS2; CE:50 V; [M-H]-

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

ACCESSION: KO000808
RECORD_TITLE: Glucose; 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 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 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 179
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-

PK$SPLASH: splash10-0a4i-9000000000-a61efd1469735758b317
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  41.000 64356.5 75
  43.000 74257.5 86
  45.400 9901.0 11
  55.100 79208.0 92
  56.900 118812.0 138
  59.000 861387.0 999
  70.900 163366.5 189
  80.000 44554.5 52
  97.100 99010.0 115
//

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