ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003889
RECORD_TITLE: DIMETHYL SUBERATE; 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$NAME: DIMETHYL SUBERATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₈O₄
CH$EXACT_MASS: 202.12051
CH$SMILES: COC(=O)CCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C10H18O4/c1-13-9(11)7-5-3-4-6-8-10(12)14-2/h3-8H2,1-2H3
CH$LINK: INCHIKEY LNLCRJXCNQABMV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3061926

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0076-9300000000-e5cf213fbc6121461fd4
PK$NUM_PEAK: 76
PK$PEAK: m/z int. rel.int.
  15 71.8 718
  16 2.1 21
  18 1.9 19
  25 0.21 2
  26 2 20
  27 28.1 281
  28 17.5 175
  29 2.81 28
  30 3 30
  31 7.6 76
  33 1.7 17
  36 0.24 2
  39 20.5 205
  40 7 70
  41 71.2 712
  42 2.4 24
  43 74.3 743
  44 5 50
  45 14.4 144
  48 0.2 2
  51 2.2 22
  53 6 60
  54 5.6 56
  55 8.93 89
  56 16.3 163
  57 6.4 64
  58 3.7 37
  59 7.08 71
  60 3.5 35
  67 8.9 89
  68 16.9 169
  69 9.22 92
  70 8.5 85
  71 3.1 31
  72 2.5 25
  73 1.02 10
  74 99.99 999
  75 4.7 47
  79 3.6 36
  81 0.51 5
  82 9.3 93
  83 40 400
  84 9.6 96
  85 0.53 5
  86 3.3 33
  87 36.7 367
  88 5 50
  93 0.32 3
  95 3 30
  96 3.6 36
  97 54.5 545
  98 0.21 2
  99 1.6 16
  100 1.3 13
  101 8.6 86
  109 0.25 3
  110 13.5 135
  111 20.2 202
  112 2.8 28
  113 0.44 4
  114 10.2 102
  115 3.5 35
  116 3 30
  127 0.32 3
  128 2.6 26
  129 58.4 584
  130 3.9 39
  137 0.4 4
  138 49.5 495
  139 12.5 125
  140 3.6 36
  142 0.81 8
  143 3.5 35
  170 3.8 38
  171 33.4 334
  172 3.6 36
//