ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006039
RECORD_TITLE: DIMETHYL SUBERATE; 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$NAME: DIMETHYL SUBERATE
CH$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$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-00g0-7900000000-caf635f7856645aff8dd
PK$NUM_PEAK: 53
PK$PEAK: m/z int. rel.int.
  41 4.99 50
  42 1.04 10
  43 13.3 133
  45 2 20
  55 17.2 172
  56 1.35 14
  57 1.59 16
  59 12.31 123
  67 2.65 27
  68 8.31 83
  69 46.75 468
  70 2.77 28
  73 4.32 43
  74 58.91 589
  75 3.02 30
  81 2.26 23
  82 7.76 78
  83 23.82 238
  84 7.22 72
  85 2.18 22
  87 26.11 261
  88 2.99 30
  93 1.2 12
  96 2.58 26
  97 59.23 592
  98 3.79 38
  99 1.11 11
  100 1.18 12
  101 5.88 59
  109 1.45 15
  110 17.34 173
  111 19.42 194
  112 1.65 17
  113 3.45 35
  114 11.01 110
  115 2.92 29
  116 2.25 23
  127 3.1 31
  128 5.28 53
  129 99.99 999
  130 7.73 77
  137 2.55 26
  138 89.04 890
  139 17.06 171
  140 1.65 17
  142 12.71 127
  143 2.33 23
  160 1.56 16
  170 6.7 67
  171 64.26 643
  172 6.3 63
  202 0.81 8
  203 0.13 1
//