ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007328
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$NAME: ADIPIC ACID DIPROPYL ESTER
CH$NAME: HEXANEDIOIC 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: CAS 106-19-4
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 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0096-8900000000-97b584b8a334c89cd55d
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  15 1.19 12
  26 1.23 12
  27 24.2 242
  28 11.37 114
  29 11.2 112
  31 4.1 41
  39 7.89 79
  40 1.98 20
  41 33.07 331
  42 11.59 116
  43 48.49 485
  44 1.67 17
  45 2.82 28
  53 1.5 15
  54 2.56 26
  55 26.23 262
  56 14.99 150
  57 3.35 34
  58 1.54 15
  59 9.17 92
  60 12.17 122
  61 13.97 140
  68 1.94 19
  69 3.17 32
  73 10.32 103
  74 1.72 17
  82 1.41 14
  83 16.75 168
  84 6.08 61
  85 1.14 11
  87 27.16 272
  88 1.41 14
  99 1.72 17
  100 16.85 169
  101 25.62 256
  102 2.64 26
  103 1.23 12
  110 2.16 22
  111 50.57 506
  112 6.7 67
  115 2.73 27
  128 2.2 22
  129 69.62 696
  130 5.02 50
  142 23.68 237
  143 3.61 36
  144 2.38 24
  170 4.32 43
  171 99.99 999
  172 10.71 107
  173 1.28 13
  189 3.04 30
  230 2.07 21
//