ACCESSION: MSBNK-Kazusa-KZ000032
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_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
//