ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009019
RECORD_TITLE: DIBUTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$LINK: CAS 105-99-7
CH$LINK: INCHIKEY XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021866

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0570-9800000000-3b60744c05ba28ab9a9e
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  26 1.44 14
  27 19.1 191
  28 13.74 137
  29 55.97 560
  30 1.4 14
  31 2.86 29
  39 11.45 115
  40 1.96 20
  41 61.23 612
  42 9.52 95
  43 18.97 190
  44 1.71 17
  45 3.45 35
  53 2.34 23
  54 3.33 33
  55 58.88 589
  56 49.31 493
  57 42.57 426
  58 2.44 24
  59 8.72 87
  60 8.28 83
  61 3.02 30
  68 1.88 19
  69 3.36 34
  73 11.04 110
  74 1.61 16
  82 1.41 14
  83 19.96 200
  84 7.75 78
  85 1.83 18
  87 34.3 343
  88 1.47 15
  99 2 20
  100 25.87 259
  101 35.84 358
  102 4.99 50
  103 1.5 15
  110 1.86 19
  111 54.01 540
  112 8.44 84
  128 3.02 30
  129 98.7 987
  130 6.94 69
  143 26.84 268
  144 1.94 19
  156 27 270
  157 3.41 34
  158 2.53 25
  184 1.75 18
  185 99.99 999
  186 10.48 105
  187 1.27 13
  203 2.02 20
//