ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003356
RECORD_TITLE: GLYCERYL TRIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: GLYCERYL TRIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₄O₆
CH$EXACT_MASS: 218.07904
CH$SMILES: CC(=O)OCC(COC(C)=O)OC(C)=O
CH$IUPAC: InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
CH$LINK: INCHIKEY URAYPUMNDPQOKB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3026691

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0zfs-3900000000-0e517995b789bd89015d
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  41 41.1 411
  45 5.4 54
  54 4.5 45
  55 7.2 72
  56 17.1 171
  60 12.6 126
  73 18.5 185
  74 1.58 16
  75 3.1 31
  86 19.9 199
  98 4.5 45
  99 0.58 6
  103 99.99 999
  104 5.4 54
  115 31.6 316
  116 4.43 44
  117 8.5 85
  145 89.1 891
  146 5.8 58
  158 0.4 4
  159 74.6 746
  160 5.8 58
//