MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005840

TRIACETIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005840
RECORD_TITLE: TRIACETIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: TRIACETIN
CH$NAME: GLYCEROL 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

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0007-7900000000-8dba8a82c4b9ea4fff14
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  43 99.99 999
  44 2.22 22
  56 1 10
  57 1 10
  73 3.91 39
  74 3.48 35
  86 8.24 82
  98 1.56 16
  103 45.84 458
  104 2.05 21
  115 15.29 153
  116 22.61 226
  117 1.73 17
  145 52.88 529
  146 4.05 41
  158 1.31 13
  159 1.79 18
//