MassBank Record: KZ000140



 Glycerol; GC-EI-TOF; MS; 3 TMS; BP:147 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KZ000140
RECORD_TITLE: Glycerol; GC-EI-TOF; MS; 3 TMS; BP:147
DATE: 2016.01.19 (2009.03.11, 2011.05.06)
AUTHORS: Ara TKazusa DNA Research Institute, Morishita YKazusa DNA Research Institute, Shibata DKazusa DNA Research Institute, Kazusa DNA Research Institute
LICENSE: CC BY-SA
COMMENT: MassBase peak ID: MDGC1_05034_P000033

CH$NAME: Glycerol CH$COMPOUND_CLASS: Natural Product CH$FORMULA: C3H8O3 CH$EXACT_MASS: 92.04734 CH$SMILES: OCC(O)CO CH$IUPAC: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2 CH$LINK: CAS 56-81-5 CH$LINK: KEGG C00116 CH$LINK: INCHIKEY PEDCQBHIVMGVHV-UHFFFAOYSA-N CH$LINK: COMPTOX DTXSID9020663
AC$INSTRUMENT: Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies AC$INSTRUMENT_TYPE: GC-EI-TOF AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME DB-17MS AC$CHROMATOGRAPHY: RETENTION_INDEX 0.0000 AC$CHROMATOGRAPHY: RETENTION_TIME 547.844 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-05mk-0940000000-778ba583836705f8fdf4 PK$NUM_PEAK: 89 PK$PEAK: m/z int. rel.int. 85 4 4 87 6 6 88 4 4 89 12 12 90 2 2 99 6 6 101 87 87 102 10 10 103 407 407 104 39 39 105 17 17 106 2 2 107 1 1 111 1 1 113 11 11 114 1 1 115 27 27 116 41 41 117 444 444 118 46 46 119 35 35 120 3 3 121 2 2 128 4 4 129 79 79 130 9 9 131 54 54 132 10 10 133 236 236 134 29 29 135 15 15 136 1 1 143 2 2 145 4 4 146 2 2 147 999 999 148 132 132 149 77 77 150 8 8 151 3 3 159 6 6 160 1 1 161 4 4 162 2 2 163 19 19 164 3 3 165 2 2 166 1 1 168 1 1 169 1 1 170 1 1 171 1 1 172 1 1 173 2 2 174 6 6 175 55 55 176 10 10 177 36 36 178 5 5 179 3 3 180 1 1 181 1 1 182 1 1 183 1 1 184 1 1 185 1 1 186 1 1 187 1 1 188 1 1 189 9 9 190 3 3 191 37 37 192 6 6 193 3 3 203 94 94 204 118 118 205 908 908 206 152 152 207 63 63 208 7 7 209 2 2 217 38 38 218 228 228 219 41 41 220 14 14 221 6 6 222 1 1 263 2 2 293 6 6 //

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