ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003338
RECORD_TITLE: DIBENZYL 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$NAME: DIBENZYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₃₀O₄
CH$EXACT_MASS: 382.21441
CH$SMILES: C(CCCCC(=O)OCc(c2)cccc2)CCCC(=O)OCc(c1)cccc1
CH$IUPAC: InChI=1S/C24H30O4/c25-23(27-19-21-13-7-5-8-14-21)17-11-3-1-2-4-12-18-24(26)28-20-22-15-9-6-10-16-22/h5-10,13-16H,1-4,11-12,17-20H2
CH$LINK: INCHIKEY DVLXEVMGHXWBOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2059691

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$SPLASH: splash10-0a4l-9420000000-d73c7dd5d6ac83e1f079
PK$NUM_PEAK: 62
PK$PEAK: m/z int. rel.int.
  43 20.8 208
  45 4.2 42
  53 3.9 39
  54 51.5 515
  55 90 900
  56 78.4 784
  59 15.8 158
  60 0.61 6
  67 7.3 73
  68 4.9 49
  69 23.7 237
  70 0.89 9
  71 3.9 39
  73 12.6 126
  79 2.9 29
  81 0.83 8
  82 2.4 24
  83 13.8 138
  84 17.1 171
  87 0.52 5
  93 3 30
  94 2.3 23
  95 7.1 71
  96 0.45 5
  97 21.7 217
  98 27.7 277
  99 3 30
  101 0.93 9
  107 2.4 24
  110 2.3 23
  111 6.3 63
  112 0.42 4
  115 2.6 26
  116 2.4 24
  119 2 20
  121 0.9 9
  124 3.8 38
  125 22 220
  129 4.2 42
  130 0.24 2
  138 13.9 139
  139 21.5 215
  143 25.5 255
  144 0.22 2
  157 8 80
  158 2.2 22
  166 15.7 157
  167 0.57 6
  185 57.8 578
  186 8.6 86
  199 25.2 252
  200 0.41 4
  212 4.8 48
  213 4.1 41
  214 5.8 58
  241 99.99 999
  242 16.7 167
  243 0.23 2
  255 3.5 35
  259 0.26 3
  269 3.3 33
  315 3.9 39
//