MassBank Record: KO000807

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Glucose; LC-ESI-QQ; MS2; CE:40 V; [M-H]-

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

ACCESSION: KO000807
RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:40 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$EXACT_MASS: 180.063389999999998281055013649165630340576171875
CH$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: INCHIKEY WQZGKKKJIJFFOK-GASJEMHNSA-N
CH$LINK: KEGG C00031
CH$LINK: NIKKAJI J4.109B
CH$LINK: PUBCHEM SID:3333

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 40 V

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

PK$SPLASH: splash10-0a4i-9000000000-ba39d4ed9431a1d01eab
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.200 103960.5 37
  43.200 108911.0 38
  45.000 54455.5 19
  55.000 74257.5 26
  57.200 232673.5 82
  59.100 2841587.0 999
  71.000 618812.5 218
  78.800 148515.0 52
  84.900 44554.5 16
  92.100 24752.5 9
  97.200 242574.5 85
//