MassBank Record: KZ000139



 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: KZ000139
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_P000032

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$CHROMATOGRAPHY: RETENTION_TIME 546.994 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0ktb-0920000000-93408d69acffad6f48af PK$NUM_PEAK: 97 PK$PEAK: m/z int. rel.int. 83 2 2 85 18 18 86 3 3 87 16 16 88 15 15 89 55 55 90 5 5 91 2 2 95 1 1 97 1 1 99 10 10 100 1 1 101 140 140 102 18 18 103 704 704 104 56 56 105 24 24 106 2 2 107 1 1 111 1 1 113 14 14 114 2 2 115 33 33 116 64 64 117 627 627 118 54 54 119 37 37 120 4 4 121 2 2 128 4 4 129 128 128 130 17 17 131 86 86 132 14 14 133 244 244 134 32 32 135 18 18 136 1 1 143 1 1 145 3 3 146 2 2 147 999 999 148 153 153 149 83 83 150 10 10 151 4 4 159 6 6 160 1 1 161 4 4 162 2 2 163 16 16 164 3 3 165 2 2 169 1 1 170 1 1 171 1 1 172 1 1 173 2 2 174 5 5 175 54 54 176 11 11 177 60 60 178 10 10 179 5 5 180 1 1 181 1 1 182 1 1 183 1 1 185 1 1 186 1 1 187 1 1 188 1 1 189 9 9 190 5 5 191 43 43 192 9 9 193 4 4 203 39 39 204 65 65 205 539 539 206 116 116 207 58 58 208 8 8 209 2 2 217 40 40 218 235 235 219 52 52 220 21 21 221 10 10 222 2 2 223 1 1 263 5 5 264 2 2 265 1 1 293 31 31 294 8 8 295 4 4 //

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