ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006089
RECORD_TITLE: DIMETHYL PIMELATE; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

PK$SPLASH: splash10-0a4i-1900000000-6165eda02b5144275b84
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  67 1.85 19
  69 6.36 64
  74 9.01 90
  83 5.36 54
  85 1.29 13
  87 2.24 22
  97 3.52 35
  100 1.39 14
  111 4.8 48
  115 9.34 93
  123 1.53 15
  124 1.91 19
  125 9.11 91
  127 1.57 16
  128 3.18 32
  129 1.24 12
  155 2.09 21
  156 1.12 11
  157 99.99 999
  158 9.45 95
  159 1.03 10
  189 15.13 151
  190 1.7 17
//