ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001789
RECORD_TITLE: CIS-9-OCTADECENOIC ACID BUTYL 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$NAME: CIS-9-OCTADECENOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₂
CH$EXACT_MASS: 338.31848
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12-
CH$LINK: INCHIKEY WIBFFTLQMKKBLZ-SEYXRHQNSA-N
CH$LINK: COMPTOX DTXSID7027099

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$SPLASH: splash10-0532-9510000000-dd143b124a3fc321e55d
PK$NUM_PEAK: 133
PK$PEAK: m/z int. rel.int.
  4 10.3 103
  29 2.75 28
  41 8.61 86
  43 19.92 199
  54 3.34 33
  55 30.6 306
  56 81.12 811
  57 89.88 899
  58 3.3 33
  60 7.58 76
  61 9.8 98
  67 10.75 108
  68 17.12 171
  69 70.89 709
  70 36.86 369
  71 21.78 218
  73 18.24 182
  80 2.65 27
  81 23.8 238
  82 32.82 328
  83 99.99 999
  84 95.05 951
  85 18.96 190
  86 1.36 14
  87 7.76 78
  93 2.74 27
  94 6.91 69
  95 22.88 229
  96 60.45 605
  97 98.12 981
  98 85.13 851
  99 12.12 121
  100 5.66 57
  101 14.33 143
  102 1.42 14
  105 1.4 14
  107 3.89 39
  108 5.33 53
  109 19.94 199
  110 35.6 356
  111 50.82 508
  112 22.46 225
  113 7.53 75
  114 12.51 125
  115 8.9 89
  116 5.23 52
  117 3.86 39
  119 4.67 47
  121 6.15 62
  122 3.04 30
  123 23.26 233
  124 16.27 163
  125 26.65 267
  126 10.85 109
  127 12.74 127
  128 3.51 35
  129 15.71 157
  130 1.74 17
  133 5.74 57
  134 5.12 51
  135 6.65 67
  136 2.35 24
  137 14.83 148
  138 12.54 125
  139 14.61 146
  140 6.64 66
  141 6.65 67
  142 1.38 14
  143 4.87 49
  147 5.54 55
  148 3.77 38
  149 4.86 49
  150 2.04 20
  151 13.02 130
  152 11.86 119
  153 9.22 92
  154 4.36 44
  155 5.36 54
  156 1.67 17
  157 3.11 31
  161 3.3 33
  162 1.08 11
  163 3.41 34
  164 1.95 20
  165 12.98 130
  166 10.14 101
  167 6.3 63
  168 2.67 27
  169 6.6 66
  170 2.04 20
  171 2.53 25
  172 0.57 6
  175 2.32 23
  177 1.08 11
  179 7.94 79
  180 18.92 189
  181 6.97 70
  182 1.83 18
  183 8.15 82
  184 1.87 19
  185 3.25 33
  186 0.45 5
  189 0.7 7
  193 4.31 43
  194 3.6 36
  195 2.02 20
  197 1.55 16
  199 2.15 22
  207 4.17 42
  208 2.9 29
  209 1.37 14
  211 1.35 14
  213 0.49 5
  220 6.82 68
  221 5.74 57
  222 19.99 200
  223 4.37 44
  235 2.45 25
  236 3.28 33
  239 0.54 5
  245 3.51 35
  246 4.5 45
  247 2.83 28
  263 7.19 72
  264 66.21 662
  265 38.15 382
  266 7.2 72
  267 0.49 5
  281 0.36 4
  282 1.19 12
  283 3.24 32
  338 9.5 95
  339 2.7 27
//