ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006038
RECORD_TITLE: DIMETHYL PIMELATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL PIMELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₆O₄
CH$EXACT_MASS: 188.10486
CH$SMILES: COC(=O)CCCCCC(=O)OC
CH$IUPAC: InChI=1S/C9H16O4/c1-12-8(10)6-4-3-5-7-9(11)13-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY SHWINQXIGSEZAP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061925

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-06di-8900000000-9b56b9d7d9753fe5d283
PK$NUM_PEAK: 46
PK$PEAK: m/z int. rel.int.
  15 2.13 21
  41 4.46 45
  42 1 10
  43 13.32 133
  45 1.97 20
  54 1.04 10
  55 23.24 232
  56 1.18 12
  57 1.82 18
  59 16.83 168
  67 1.03 10
  68 13.64 136
  69 28.16 282
  70 1.93 19
  72 1.12 11
  73 21.76 218
  74 59.12 591
  75 2.66 27
  82 2.17 22
  83 32.2 322
  84 2 20
  85 2.32 23
  87 14.34 143
  88 2.91 29
  96 6.87 69
  97 19.58 196
  98 1.81 18
  99 1.27 13
  100 11.68 117
  101 3.79 38
  111 11.47 115
  113 3.68 37
  114 8.77 88
  115 99.99 999
  116 6.53 65
  123 1.27 13
  124 20.57 206
  125 29.51 295
  126 2.81 28
  127 2 20
  128 32.19 322
  129 5.06 51
  146 1.04 10
  156 11.61 116
  157 46.53 465
  158 4.32 43
//