ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004067
RECORD_TITLE: DIMETHYL PIMELATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: HITACHI RMU-6L
AC$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$SPLASH: splash10-0596-9100000000-d1d23d68f041d9b2478d
PK$NUM_PEAK: 71
PK$PEAK: m/z int. rel.int.
  14 1.9 19
  16 2.5 25
  26 3.2 32
  27 2.6 26
  28 13.2 132
  29 24.1 241
  30 2.2 22
  31 0.74 7
  33 2.3 23
  35 2.2 22
  39 21 210
  40 0.56 6
  41 55.4 554
  42 32 320
  43 64.9 649
  44 0.45 5
  45 13 130
  47 3.2 32
  48 13.2 132
  49 1.45 15
  51 2.5 25
  53 5 50
  54 6.5 65
  55 99.99 999
  56 7.5 75
  57 6 60
  58 4 40
  59 8.11 81
  60 4 40
  63 5.5 55
  65 2.1 21
  67 0.56 6
  68 24 240
  69 70 700
  70 5.9 59
  71 0.39 4
  72 2.9 29
  73 35.5 355
  74 95.2 952
  79 0.31 3
  81 3.2 32
  82 3 30
  83 41.7 417
  84 0.3 3
  85 6 60
  87 29.1 291
  88 4.7 47
  95 0.35 4
  96 9.9 99
  97 28.1 281
  98 3.1 31
  99 0.22 2
  100 14.1 141
  101 6.7 67
  102 4 40
  111 1.32 13
  112 2.6 26
  113 3.9 39
  114 8.5 85
  115 7.93 79
  116 5.3 53
  123 3 30
  124 21 210
  125 3.55 36
  126 2.5 25
  127 3.3 33
  128 30.7 307
  129 0.78 8
  156 4.2 42
  157 25.7 257
  158 3 30
//