ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003386
RECORD_TITLE: DIBUTYL ADIPATE; 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$NAME: DIBUTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: CCCCOC(=O)CCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C14H26O4/c1-3-5-11-17-13(15)9-7-8-10-14(16)18-12-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021866

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$SPLASH: splash10-052r-4900000000-34d9c329357a1a91230e
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  43 7.8 78
  54 19.7 197
  55 25.4 254
  56 21.2 212
  58 4.5 45
  59 4.6 46
  60 2.5 25
  73 0.59 6
  83 10.8 108
  84 4.6 46
  87 20.5 205
  91 0.21 2
  100 12.5 125
  101 17.2 172
  102 2.9 29
  111 2.97 30
  112 4.9 49
  128 2.2 22
  129 59.9 599
  130 0.21 2
  143 23 230
  144 2.1 21
  156 20.2 202
  157 0.34 3
  158 3.9 39
  171 3.8 38
  184 3.9 39
  185 99.99 999
  186 11 110
  203 7.8 78
  258 8.2 82
  259 4.9 49
//