ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000809
RECORD_TITLE: 13-DOCOSENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAYASHI A, DEPT. OF CHEMISTRY, FAC. OF SCI. AND TECHNOLOGY, KINKI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 13-DOCOSENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₄O₂
CH$EXACT_MASS: 352.33413
CH$SMILES: CCCCCCCCC=CCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h10-11H,3-9,12-22H2,1-2H3/b11-10+
CH$LINK: CAS 56630-69-4
CH$LINK: INCHIKEY ZYNDJIBBPLNPOW-ZHACJKMWSA-N

AC$INSTRUMENT: SHIMADZU LKB-9000B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05oa-9100000000-f949821101f79ca25028
PK$NUM_PEAK: 153
PK$PEAK: m/z int. rel.int.
  36 4.2 42
  37 4.7 47
  38 1.2 12
  39 8.4 84
  41 5.13 51
  42 4.6 46
  43 34.1 341
  44 3.8 38
  45 1.1 11
  47 33.9 339
  48 15.7 157
  49 11.6 116
  50 4.9 49
  51 1 10
  52 1.2 12
  53 6.5 65
  54 13 130
  55 44.8 448
  56 7.2 72
  57 21.4 214
  58 0.8 8
  59 11.7 117
  60 0.3 3
  61 0.3 3
  63 0.3 3
  65 3.8 38
  66 3 30
  67 28.1 281
  68 11.3 113
  69 35.8 358
  70 9.9 99
  71 8.3 83
  72 0.8 8
  73 1.1 11
  74 27.5 275
  75 4.5 45
  77 5.2 52
  78 2.4 24
  79 17.5 175
  80 9.9 99
  81 20.8 208
  82 10.8 108
  83 99.99 999
  84 1.52 15
  85 69.5 695
  86 0.6 6
  87 20.5 205
  88 1.8 18
  89 0.4 4
  91 9 90
  92 2.7 27
  93 9.8 98
  94 5.2 52
  95 16.2 162
  96 17 170
  97 23.4 234
  98 13.4 134
  102 0.7 7
  103 0.6 6
  104 0.7 7
  105 4.4 44
  106 3.8 38
  107 4.6 46
  108 3.4 34
  109 8.2 82
  110 8.2 82
  111 10.5 105
  112 3.1 31
  113 1.5 15
  114 1.7 17
  115 4 40
  116 0.7 7
  117 1.6 16
  118 1 10
  119 3.2 32
  120 1.6 16
  121 3.7 37
  122 1.3 13
  123 6.2 62
  124 3.9 39
  125 5.2 52
  126 1.6 16
  127 1.4 14
  128 1.8 18
  129 2.1 21
  130 0.6 6
  131 1.2 12
  133 2.6 26
  134 1.7 17
  135 3.5 35
  136 1.2 12
  137 3.5 35
  138 3.1 31
  139 3.4 34
  140 0.4 4
  141 3.2 32
  142 0.7 7
  143 1.3 13
  147 1.6 16
  148 1 10
  149 1.7 17
  150 1.7 17
  151 2.4 24
  152 2.8 28
  153 2.3 23
  154 0.3 3
  155 0.4 4
  157 0.7 7
  161 0.9 9
  162 0.3 3
  163 1.3 13
  165 0.7 7
  166 1.5 15
  167 1.3 13
  169 0.3 3
  171 0.6 6
  175 0.9 9
  177 0.6 6
  179 0.8 8
  180 1.6 16
  181 0.5 5
  182 0.4 4
  187 0.3 3
  189 0.3 3
  193 0.3 3
  194 1.1 11
  195 0.6 6
  197 0.3 3
  203 0.3 3
  207 0.6 6
  208 0.8 8
  220 0.3 3
  221 0.6 6
  222 1.2 12
  235 0.4 4
  236 3 30
  237 0.3 3
  249 0.6 6
  250 0.6 6
  263 0.5 5
  264 0.5 5
  276 0.6 6
  277 1 10
  278 2.9 29
  279 0.5 5
  289 0.4 4
  291 0.4 4
  292 0.3 3
  302 0.4 4
  320 14.4 144
  321 6.5 65
  322 1 10
  352 0.9 9
//