ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008070
RECORD_TITLE: ADIPIC ACID BUTYL 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$NAME: ADIPIC ACID BUTYL ESTER
CH$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$LINK: INCHIKEY XTJFFFGAUHQWII-UHFFFAOYSA-N
CH$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 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0550-3900000000-d304ddf716a9a24e328f
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  29 3.37 34
  41 6.34 63
  43 3.86 39
  55 4.66 47
  56 29.83 298
  57 16.65 167
  59 1.59 16
  60 4.96 50
  61 1.98 20
  69 1.59 16
  73 5.85 59
  74 0.99 10
  82 0.99 10
  83 6.54 65
  84 3.27 33
  87 30.33 303
  88 1.39 14
  99 0.99 10
  100 17.34 173
  101 19.43 194
  102 3.57 36
  103 1.59 16
  110 1.49 15
  111 29.04 290
  112 6.05 61
  116 1.29 13
  128 3.07 31
  129 76.61 766
  130 5.95 60
  142 1.39 14
  143 31.62 316
  144 3.07 31
  156 29.04 290
  157 4.16 42
  158 3.96 40
  184 3.17 32
  185 99.99 999
  186 11.69 117
  187 1.59 16
  203 4.86 49
  258 3.17 32
//