MassBank Record: KO000805



 Glucose; LC-ESI-QQ; MS2; CE:20 V; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO000805
RECORD_TITLE: Glucose; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 179 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
PK$SPLASH: splash10-0a4r-9100000000-9c25b149885d8a48aab5 PK$NUM_PEAK: 20 PK$PEAK: m/z int. rel.int. 42.800 19802.0 3 57.500 34653.5 6 59.200 5821788.0 999 70.800 2693072.0 462 73.300 84158.5 14 82.800 99010.0 17 85.100 589109.5 101 89.100 4044558.5 694 95.000 262376.5 45 97.200 648515.5 111 101.000 900991.0 155 106.600 19802.0 3 112.900 752476.0 129 114.700 24752.5 4 119.300 980199.0 168 134.800 59406.0 10 136.100 19802.0 3 161.900 19802.0 3 177.200 19802.0 3 179.000 113861.5 20 //