ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003339
RECORD_TITLE: DIBUTOXYETHYL 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$NAME: DIBUTOXYETHYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₆
CH$EXACT_MASS: 402.29814
CH$SMILES: CCCCOCCOC(=O)CCCCCCCCC(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C22H42O6/c1-3-5-15-25-17-19-27-21(23)13-11-9-7-8-10-12-14-22(24)28-20-18-26-16-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY KZBSIGKPGIZQJQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044802

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$SPLASH: splash10-0pb9-9300000000-02754c1b87bcbaf64b46
PK$NUM_PEAK: 59
PK$PEAK: m/z int. rel.int.
  45 61.1 611
  54 38.2 382
  55 93.8 938
  56 99.99 999
  57 6.4 64
  58 2.5 25
  59 2.2 22
  63 0.21 2
  67 5.9 59
  68 3.1 31
  69 17.9 179
  70 0.65 7
  71 7.2 72
  73 4.4 44
  79 2.6 26
  81 0.54 5
  82 3 30
  83 8.6 86
  84 10.7 107
  85 8.91 89
  86 11 110
  87 7.3 73
  88 3.6 36
  93 0.28 3
  95 4.9 49
  97 8.5 85
  98 18 180
  99 1.91 19
  100 78.9 789
  101 37.8 378
  105 2.8 28
  111 0.47 5
  112 3.9 39
  113 2.8 28
  117 9.2 92
  119 0.28 3
  121 5.2 52
  125 2.5 25
  138 3.5 35
  139 0.54 5
  140 5.1 51
  141 4.4 44
  155 3.6 36
  160 1.09 11
  166 4.6 46
  169 5.6 56
  173 4.3 43
  184 0.36 4
  185 10.2 102
  211 8.1 81
  213 12.4 124
  229 3.5 35
  230 5.6 56
  243 8.9 89
  258 4.7 47
  285 2.32 23
  329 12.7 127
  330 4.5 45
  403 2.3 23
//