ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001721
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIMETHYL ESTER
CH$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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0h3r-9700000000-efb4b38b27fa69fcc467
PK$NUM_PEAK: 94
PK$PEAK: m/z int. rel.int.
  4 2.49 25
  15 2.35 24
  29 2.08 21
  31 0.54 5
  41 5.57 56
  42 1.97 20
  43 29.95 300
  44 1.16 12
  45 2.37 24
  54 0.98 10
  55 57.03 570
  56 4.41 44
  57 5.38 54
  59 22.74 227
  60 0.44 4
  62 1.28 13
  67 4.39 44
  68 8.52 85
  69 32.85 329
  70 3.45 35
  71 1.03 10
  72 0.47 5
  73 5.79 58
  74 93.44 934
  75 6.23 62
  76 0.34 3
  79 1.53 15
  80 4.27 43
  81 7.18 72
  82 14.27 143
  83 82.87 829
  84 49.9 499
  85 4.03 40
  86 6.6 66
  87 31.45 315
  88 4.99 50
  91 0.24 2
  92 1.3 13
  93 2.57 26
  94 0.24 2
  95 3.89 39
  96 14.5 145
  97 31.92 319
  98 25.52 255
  99 4.18 42
  100 5.53 55
  102 1.45 15
  105 0.24 2
  106 1.14 11
  107 4.61 46
  108 1.37 14
  109 2.24 22
  110 10.42 104
  111 80.19 802
  112 6.6 66
  113 3.12 31
  114 2.67 27
  115 4.57 46
  116 1.13 11
  123 2.53 25
  124 34.87 349
  125 25.78 258
  126 3.39 34
  127 1.68 17
  128 8.5 85
  129 2.36 24
  130 6.03 60
  131 0.36 4
  133 0.22 2
  134 2.5 25
  135 3.02 30
  136 0.24 2
  137 3.74 37
  138 0.29 3
  140 2.32 23
  141 3.11 31
  142 3.32 33
  143 59.5 595
  144 5.61 56
  145 0.44 4
  151 1.99 20
  152 99.99 999
  153 13.99 140
  154 1.65 17
  155 0.21 2
  156 8.61 86
  157 1.88 19
  158 0.44 4
  166 0.25 3
  184 6.4 64
  185 51.13 511
  186 6.63 66
  187 0.59 6
  217 1.52 15
//