ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007330
RECORD_TITLE: ADIPIC ACID DIBUTYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ADIPIC ACID DIBUTYL ESTER
CH$NAME: HEXANEDIOIC ACID DIBUTYL ESTER
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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0570-8900000000-db43311f6bef5a74bafd
PK$NUM_PEAK: 56
PK$PEAK: m/z int. rel.int.
  26 1.24 12
  27 13.85 139
  28 12.16 122
  29 48.81 488
  30 1.31 13
  31 2.77 28
  39 8.99 90
  40 1.63 16
  41 46.25 463
  42 4.01 40
  43 11.82 118
  44 1.07 11
  45 2.44 24
  53 2.09 21
  54 2.63 26
  55 31.57 316
  56 41.09 411
  57 38.82 388
  59 1.85 19
  60 7.52 75
  61 8.13 81
  62 3.06 31
  68 2.05 21
  69 2.77 28
  73 9.96 100
  74 1.63 16
  82 1.37 14
  83 16.14 161
  84 7.22 72
  85 1.34 13
  86 1.02 10
  87 32.87 329
  88 1.54 15
  99 1.94 19
  100 19.11 191
  101 29.47 295
  102 4.44 44
  103 1.27 13
  110 1.66 17
  111 43.95 440
  112 7.58 76
  113 1.05 11
  127 1 10
  128 3.15 32
  129 87.97 880
  130 6.15 62
  143 28.16 282
  144 2.6 26
  156 23.3 233
  157 3.48 35
  158 3.4 34
  184 2.5 25
  185 99.99 999
  186 11.43 114
  187 1.42 14
  203 4.13 41
//