ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003337
RECORD_TITLE: DIOCTYL SEBACATE; 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$NAME: DIOCTYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₀O₄
CH$EXACT_MASS: 426.37091
CH$SMILES: CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3
CH$LINK: INCHIKEY MIMDHDXOBDPUQW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047537

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$SPLASH: splash10-059i-9600000000-5f78e6ceaeacadd2ce3e
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  53 2.1 21
  54 31.8 318
  55 15.5 155
  56 69.5 695
  57 2.7 27
  67 3.8 38
  68 3.1 31
  69 1.66 17
  70 50.7 507
  71 39.5 395
  72 2.1 21
  81 0.26 3
  82 4.6 46
  83 17.5 175
  84 10.1 101
  97 0.61 6
  98 12.3 123
  111 2.6 26
  112 38.6 386
  113 1.93 19
  121 2.2 22
  125 3.8 38
  129 2.1 21
  138 0.19 2
  139 6.1 61
  143 7.3 73
  157 2.5 25
  158 0.34 3
  166 4.7 47
  184 3 30
  185 99.99 999
  186 1 10
  199 2.7 27
  203 5.4 54
  213 2.1 21
  255 0.25 3
  268 2.2 22
  297 10.6 106
  298 2.5 25
  315 0.77 8
  316 1.4 14
  426 1 10
  427 1.5 15
//