ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003336
RECORD_TITLE: DIETHYL 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$NAME: DIETHYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: CCOC(=O)CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-17-13(15)11-9-7-5-6-8-10-12-14(16)18-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY ONKUXPIBXRRIDU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0021915

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$SPLASH: splash10-0g0b-9400000000-461f319ea5dff51a00d5
PK$NUM_PEAK: 72
PK$PEAK: m/z int. rel.int.
  43 29.3 293
  44 2.4 24
  45 20.6 206
  53 7 70
  54 99.99 999
  55 15.8 158
  56 7.6 76
  58 0.78 8
  59 27.2 272
  60 19.5 195
  67 15.6 156
  68 0.81 8
  69 39.4 394
  70 22.7 227
  71 5.5 55
  73 1.85 19
  74 9.9 99
  79 6.9 69
  80 4 40
  81 1.34 13
  82 4.9 49
  83 26.9 269
  84 32.9 329
  85 0.39 4
  87 8.2 82
  88 48.1 481
  89 4.9 49
  91 0.24 2
  93 4.9 49
  94 3.6 36
  95 10.2 102
  96 0.97 10
  97 43 430
  98 63.1 631
  99 4.6 46
  101 2.66 27
  107 5.4 54
  109 3.1 31
  110 6.3 63
  111 1.02 10
  112 5.7 57
  115 7.8 78
  121 12.5 125
  124 0.9 9
  125 55.5 555
  126 5.1 51
  128 2.1 21
  129 1.18 12
  137 3.1 31
  138 29.9 299
  139 22.1 221
  143 0.43 4
  148 4.8 48
  149 3.4 34
  156 2.1 21
  157 0.57 6
  158 7.3 73
  166 32.6 326
  167 7.3 73
  170 0.69 7
  171 69.8 698
  172 8.2 82
  184 8.2 82
  185 0.54 5
  186 7.5 75
  199 8.4 84
  212 8.8 88
  213 8.16 82
  214 11.8 118
  258 1 10
  259 5.8 58
  260 1 10
//