ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006048
RECORD_TITLE: DIMETHYL AZELATE; 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$NAME: DIMETHYL AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₀O₄
CH$EXACT_MASS: 216.13616
CH$SMILES: COC(=O)CCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C11H20O4/c1-14-10(12)8-6-4-3-5-7-9-11(13)15-2/h3-9H2,1-2H3
CH$LINK: INCHIKEY DRUKNYVQGHETPO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1044807

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$SPLASH: splash10-0wa3-6900000000-823cb32495e4b8debbe8
PK$NUM_PEAK: 61
PK$PEAK: m/z int. rel.int.
  41 1.2 12
  43 10.29 103
  55 15.29 153
  56 1.12 11
  57 1.07 11
  59 6.52 65
  67 1.98 20
  68 3.89 39
  69 14.07 141
  70 1.5 15
  73 2.32 23
  74 49.99 500
  75 2.93 29
  80 2.16 22
  81 2.78 28
  82 7.55 76
  83 42.16 422
  84 28.68 287
  85 2.54 25
  87 20.02 200
  88 3.06 31
  93 1.26 13
  95 1.79 18
  96 8.58 86
  97 17.01 170
  98 18.24 182
  99 1.75 18
  101 7.31 73
  107 2.98 30
  109 1.07 11
  110 7.06 71
  111 58.24 582
  112 5.08 51
  113 2.54 25
  114 2.13 21
  115 2.8 28
  123 1.41 14
  124 22.66 227
  125 14.05 141
  126 1.61 16
  127 1.35 14
  128 6.17 62
  129 1.9 19
  130 4.34 43
  134 1.72 17
  135 1.97 20
  137 2.35 24
  140 1.98 20
  141 2.21 22
  142 2.93 29
  143 56.62 566
  144 4.98 50
  151 1.41 14
  152 99.99 999
  153 13.82 138
  154 1.63 16
  156 6.81 68
  157 1.17 12
  184 6.17 62
  185 46.67 467
  186 5.92 59
//