ACCESSION: MSBNK-Kazusa-KZ000139
RECORD_TITLE: Glycerol; GC-EI-TOF; MS; 3 TMS; BP:147
DATE: 2016.01.19 (Created 2009.03.11, modified 2011.05.06)
AUTHORS: Ara T, Morishita Y, Shibata D, 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
//