ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001711
RECORD_TITLE: DECANEDIOIC ACID DIBUTYL ESTER; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: DECANEDIOIC ACID DIBUTYL ESTER
CH$NAME: DIBUTYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₄O₄
CH$EXACT_MASS: 314.24571
CH$SMILES: CCCCOC(=O)CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C18H34O4/c1-3-5-15-21-17(19)13-11-9-7-8-10-12-14-18(20)22-16-6-4-2/h3-16H2,1-2H3
CH$LINK: COMPTOX DTXSID1041847
CH$LINK: INCHIKEY PYGXAGIECVVIOZ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7986

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-014l-0269000000-ea80f1079920fdbba712
PK$NUM_PEAK: 66
PK$PEAK: m/z int. rel.int.
  61 0.7 7
  67 0.15 2
  68 0.24 2
  69 0.45 5
  70 0.24 2
  73 0.67 7
  80 0.4 4
  81 0.5 5
  83 0.64 6
  84 0.62 6
  87 0.16 2
  93 0.21 2
  95 0.37 4
  97 1.27 13
  98 1.4 14
  99 0.19 2
  101 0.47 5
  109 0.13 1
  111 0.41 4
  121 0.7 7
  125 1.1 11
  129 0.18 2
  137 0.33 3
  138 0.74 7
  139 1.76 18
  140 0.15 2
  142 4.51 45
  149 0.16 2
  157 0.83 8
  159 0.23 2
  165 1.07 11
  166 0.8 8
  167 0.76 8
  169 0.31 3
  183 1.9 19
  185 19.73 197
  186 1.65 17
  187 0.18 2
  199 1.39 14
  200 0.14 1
  211 0.1 1
  212 0.16 2
  213 0.6 6
  214 0.28 3
  215 0.49 5
  223 0.19 2
  225 2.49 25
  226 0.25 3
  227 0.13 1
  238 0.21 2
  239 1.82 18
  241 80.67 807
  242 14.61 146
  243 2 20
  244 0.13 1
  257 0.23 2
  259 1.36 14
  260 0.15 2
  299 0.79 8
  313 1.56 16
  315 99.99 999
  316 31.26 313
  317 4.27 43
  318 0.53 5
  352 0.1 1
  354 0.35 4
//