ACCESSION: MSBNK-RIKEN-PR010013
RECORD_TITLE: Glycerol; GC-EI-TOF; MS; 3 TMS; BP:73
DATE: 2016.01.19 (Created 2006.12.21, modified 2011.05.06)
AUTHORS: Kusano M, Fukushima A, Plant Science Center, RIKEN.
LICENSE: CC BY-SA

CH$NAME: Glycerol
CH$NAME: 1,2,3-Propanetriol
CH$NAME: 1,2,3-Trihydroxypropane
CH$NAME: Glycerin
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$LINK: CHEBI 17754
CH$LINK: KEGG C00116
CH$LINK: NIKKAJI J1.916J
CH$LINK: PUBCHEM 3416
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$CHROMATOGRAPHY: RETENTION_INDEX 1264.7
AC$CHROMATOGRAPHY: RETENTION_TIME 304.263 sec

MS$FOCUSED_ION: BASE_PEAK 73
MS$FOCUSED_ION: DERIVATIVE_FORM C12H32O3Si3
MS$FOCUSED_ION: DERIVATIVE_MASS 308.16592
MS$FOCUSED_ION: DERIVATIVE_TYPE 3 TMS
MS$DATA_PROCESSING: WHOLE ChromaTOF ver. 2.32 (Leco)

PK$SPLASH: splash10-00dj-6920000000-6828d7b00cb31e84fac1
PK$NUM_PEAK: 85
PK$PEAK: m/z int. rel.int.
  60 10 10
  61 18 18
  62 1 1
  66 14 14
  67 2 2
  70 4 4
  71 7 7
  72 24 24
  73 999 999
  74 85 85
  75 74 74
  76 5 5
  77 7 7
  84 1 1
  85 8 8
  86 1 1
  87 10 10
  88 7 7
  89 34 34
  90 3 3
  91 1 1
  99 4 4
  101 57 57
  102 8 8
  103 287 287
  104 27 27
  105 16 16
  106 1 1
  113 6 6
  114 1 1
  115 17 17
  116 22 22
  117 295 295
  118 29 29
  119 24 24
  120 2 2
  121 1 1
  128 2 2
  129 58 58
  130 7 7
  131 42 42
  132 6 6
  133 130 130
  134 17 17
  135 11 11
  136 1 1
  143 1 1
  145 1 1
  146 1 1
  147 503 503
  148 78 78
  149 52 52
  150 6 6
  151 2 2
  159 3 3
  161 1 1
  162 1 1
  163 8 8
  164 1 1
  165 1 1
  174 2 2
  175 17 17
  176 4 4
  177 22 22
  178 3 3
  179 2 2
  189 5 5
  190 1 1
  191 23 23
  192 5 5
  193 2 2
  203 25 25
  204 34 34
  205 218 218
  206 42 42
  207 19 19
  208 2 2
  217 12 12
  218 92 92
  219 18 18
  220 8 8
  221 3 3
  263 1 1
  293 6 6
  294 1 1
//