MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005842

TRIBUTYRIN; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005842
RECORD_TITLE: TRIBUTYRIN; 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$NAME: TRIBUTYRIN
CH$NAME: GLYCERYL TRIBUTYRATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₆O₆
CH$EXACT_MASS: 302.17294
CH$SMILES: CCCC(=O)OCC(COC(=O)CCC)OC(=O)CCC
CH$IUPAC: InChI=1S/C15H26O6/c1-4-7-13(16)19-10-12(21-15(18)9-6-3)11-20-14(17)8-5-2/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY UYXTWWCETRIEDR-UHFFFAOYSA-N

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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$SPLASH: splash10-00di-9110000000-053a735053ae0621fe88
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  43 6.25 63
  71 99.99 999
  72 4.5 45
  131 2.17 22
  142 1.19 12
  143 6.75 68
  144 3.78 38
  145 3.12 31
  158 1.1 11
  159 1.26 13
  171 1 10
  186 2.29 23
  199 1 10
  201 12.21 122
  202 1.36 14
  214 1.93 19
  215 4.65 47
  229 2.56 26
//