ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001719
RECORD_TITLE: OCTANEDIOIC ACID DIMETHYL ESTER; 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$NAME: OCTANEDIOIC ACID DIMETHYL ESTER
CH$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: COMPTOX DTXSID3061926
CH$LINK: INCHIKEY LNLCRJXCNQABMV-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15611

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$SPLASH: splash10-010a-9600000000-f55e2019e8799a9421dd
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  4 0.25 3
  40 1.17 12
  41 1.86 19
  43 16.41 164
  55 37.63 376
  59 24.87 249
  68 12.33 123
  69 74.73 747
  70 6.46 65
  73 5.45 55
  74 95.55 956
  82 13.46 135
  83 35.14 351
  84 11.53 115
  85 3.74 37
  87 38.95 390
  88 2.34 23
  96 3.71 37
  97 84.55 846
  98 6 60
  101 8.45 85
  110 17.95 180
  111 24.66 247
  113 3.14 31
  114 8.86 89
  115 3.32 33
  127 1.71 17
  128 5.08 51
  129 99.99 999
  130 7.43 74
  138 70.64 706
  139 17.24 172
  141 0.9 9
  142 10.78 108
  143 3.93 39
  170 3.11 31
  171 39.77 398
  172 4.26 43
//