MassBank Record: KO000806



 Glucose; LC-ESI-QQ; MS2; CE:30 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000806
RECORD_TITLE: Glucose; 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 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
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 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4i-9000000000-76d92ea96364c24ecfb0 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 40.600 14851.5 3 43.100 143564.5 26 55.200 128713.0 24 57.400 173267.5 32 57.900 29703.0 5 59.100 5455451.0 999 68.800 14851.5 3 70.900 1762378.0 323 73.200 49505.0 9 79.200 99010.0 18 82.600 54455.5 10 84.100 34653.5 6 85.200 351485.5 64 89.100 168317.0 31 92.200 44554.5 8 95.100 89109.0 16 97.000 415842.0 76 101.100 94059.5 17 107.200 19802.0 4 135.700 34653.5 6 //