MassBank Record: KZ000032



 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: KZ000032
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_01509_P000052

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 1267.2 AC$CHROMATOGRAPHY: RETENTION_TIME 541.409 sec
MS$FOCUSED_ION: BASE_PEAK 147 MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)
PK$SPLASH: splash10-0fr2-0910000000-6497c0870b71585c6322 PK$NUM_PEAK: 78 PK$PEAK: m/z int. rel.int. 83 2 2 84 3 3 85 21 21 87 32 32 88 20 20 89 106 106 90 9 9 94 1 1 95 1 1 99 11 11 100 2 2 101 151 151 102 21 21 103 536 536 104 53 53 105 37 37 106 2 2 113 13 13 114 2 2 115 48 48 116 39 39 117 599 599 118 59 59 119 58 58 120 5 5 121 3 3 128 2 2 129 89 89 130 11 11 131 95 95 132 14 14 133 363 363 134 15 15 135 26 26 143 1 1 145 4 4 146 2 2 147 999 999 148 161 161 149 109 109 150 13 13 151 5 5 152 1 1 159 6 6 160 1 1 161 3 3 162 1 1 163 15 15 164 2 2 165 2 2 173 1 1 174 4 4 175 59 59 176 10 10 177 35 35 178 5 5 179 3 3 189 11 11 190 3 3 191 39 39 192 8 8 193 3 3 203 42 42 204 56 56 205 362 362 206 72 72 207 33 33 208 4 4 209 1 1 217 21 21 218 106 106 219 22 22 220 9 9 221 5 5 222 1 1 263 1 1 293 6 6 294 1 1 //

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