ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008068
RECORD_TITLE: ADIPIC ACID DIPROPYL 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$NAME: ADIPIC ACID DIPROPYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.15181
CH$SMILES: CCCOC(=O)CCCCC(=O)OCCC
CH$IUPAC: InChI=1S/C12H22O4/c1-3-9-15-11(13)7-5-6-8-12(14)16-10-4-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY NKOUWLLFHNBUDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6044511

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$SPLASH: splash10-00fr-3900000000-bec32ba1825ac0d86bb9
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  27 1.15 12
  41 3.44 34
  42 3.77 38
  43 19.18 192
  54 1.23 12
  55 6.64 66
  56 1.72 17
  59 2.87 29
  60 8.36 84
  61 13.52 135
  69 2.95 30
  73 6.72 67
  74 1.31 13
  82 1.23 12
  83 8.61 86
  84 3.69 37
  87 26.8 268
  88 1.39 14
  99 1.48 15
  100 17.21 172
  101 19.26 193
  102 5.57 56
  103 1.48 15
  110 1.89 19
  111 37.29 373
  112 5.49 55
  115 3.28 33
  116 1.23 12
  128 2.62 26
  129 71.07 711
  130 5.41 54
  142 28.2 282
  143 4.34 43
  144 2.79 28
  170 5.08 51
  171 99.99 999
  172 10.25 103
  173 1.23 12
  189 3.36 34
  230 2.21 22
//