MassBank Record: MT000112



 Isobar: glucose,fructose,mannose,galactose; LC-ESI-IT; MS2; m/z: 179.2; [M-H]- 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: MT000112
RECORD_TITLE: Isobar: glucose,fructose,mannose,galactose; LC-ESI-IT; MS2; m/z: 179.2; [M-H]-
DATE: 2016.01.19 (2009.08.07, 2012.10.30)
AUTHORS: Evans A MMetabolon Inc., Mitchell MMetabolon Inc., DeHaven C DMetabolon Inc., Barrett TMetabolon Inc., Milgram EMetabolon Inc., Metabolon Inc.
LICENSE: CC BY-NC-ND
COPYRIGHT: Copyright (C) 2003-2009 Metabolon, Inc.

CH$NAME: Isobar: glucose,fructose,mannose,galactose CH$COMPOUND_CLASS: Natural Product; Monosaccharide CH$FORMULA: C6H12O6 CH$EXACT_MASS: 180.06339 CH$SMILES: OCC(O1)C(O)C(O)C(O)C(O)1 CH$IUPAC: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2 CH$LINK: CAS 492-62-6 CH$LINK: HMDB HMDB00122 CH$LINK: KEGG C00267 CH$LINK: INCHIKEY WQZGKKKJIJFFOK-UHFFFAOYSA-N
AC$INSTRUMENT: LTQ XL, Thermo Finnigan AC$INSTRUMENT_TYPE: LC-ESI-IT AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40 AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 179.2 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]- MS$DATA_PROCESSING: WHOLE MLIMS VERSION 5
PK$SPLASH: splash10-03du-2900000000-8b4969661fc601d4c994 PK$NUM_PEAK: 48 PK$PEAK: m/z int. rel.int. 59.2 3.1 31 71.2 5.2 52 73.3 0.2 2 75.2 0.3 3 81.3 0.3 3 83.0 0.1 1 85.1 0.7 7 87.1 13.8 138 89.1 77.0 769 95.0 0.2 2 97.1 0.5 5 99.2 0.7 7 100.1 0.4 4 101.2 13.1 131 103.2 0.2 2 104.3 0.2 2 106.2 2.4 24 106.8 8.4 84 107.5 0.3 3 113.1 21.1 211 115.2 1.1 11 116.1 1.0 10 117.1 0.6 6 119.1 48.1 481 125.1 5.7 57 127.0 0.1 1 129.1 0.2 2 129.8 0.2 2 131.0 23.7 237 133.5 0.4 4 134.2 0.7 7 135.1 0.8 8 136.4 0.3 3 137.0 0.1 1 138.0 0.4 4 140.1 0.3 3 141.6 0.2 2 143.1 100.0 999 144.0 0.3 3 145.4 0.2 2 149.0 15.2 152 149.9 0.2 2 151.2 0.1 1 152.1 0.2 2 161.0 87.4 873 162.2 0.5 5 162.9 0.2 2 180.3 0.1 1 //