ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003357
RECORD_TITLE: GLYCERYL TRIBUTYRATE; 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$NAME: GLYCERYL TRIBUTYRATE
CH$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

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$SPLASH: splash10-00di-9100000000-a0f9426f5cd5d1ad3c83
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  44 5 50
  45 3 30
  54 3.3 33
  56 4.7 47
  59 2 20
  60 4.2 42
  70 2.2 22
  71 99.99 999
  72 7.7 77
  73 3.2 32
  74 3.9 39
  87 0.4 4
  89 6.4 64
  102 2 20
  131 11.1 111
  143 0.28 3
  145 6.2 62
  201 5.5 55
  215 8.9 89
  216 0.1 1
  229 1 10
//