MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007153

TRIACETIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007153
RECORD_TITLE: TRIACETIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA

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CH$NAME: TRIACETIN
CH$NAME: 1,2,3-PROPANETRIOL ACETATE
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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0006-9100000000-4831fd0c53a09c852378
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  15 5.1 51
  42 1.78 18
  43 99.99 999
  44 2.11 21
  61 1 10
  73 1.25 13
  86 1.64 16
  103 8.9 89
  115 1.92 19
  116 3.42 34
  145 6.94 69
//