ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002191
RECORD_TITLE: 13-DOCOSENOIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA
CH$NAME: 13-DOCOSENOIC ACID METHYL ESTER
CH$NAME: ERUCIC 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: INCHIKEY ZYNDJIBBPLNPOW-ZHACJKMWSA-N
AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-0a4i-9200000000-ddeeb656e43675e3860f
PK$NUM_PEAK: 149
PK$PEAK: m/z int. rel.int.
  42 12.4 124
  43 2.9 29
  45 9.5 95
  46 0.08 1
  53 3.7 37
  54 14.5 145
  55 99.99 999
  56 3.73 37
  57 65.9 659
  58 4.9 49
  59 15.3 153
  60 0.16 2
  61 0.8 8
  62 0.8 8
  66 0.8 8
  67 2.44 24
  68 14.9 149
  69 56.8 568
  70 16.5 165
  71 1.61 16
  73 2.9 29
  74 39 390
  75 7.4 74
  76 0.08 1
  77 2.9 29
  79 5.3 53
  80 3.7 37
  81 2.86 29
  82 20.3 203
  83 53.1 531
  84 27.8 278
  85 0.91 9
  86 6.2 62
  87 27.3 273
  88 2.9 29
  89 0.08 1
  91 1.2 12
  92 1.6 16
  93 3.3 33
  94 0.58 6
  95 21.1 211
  96 31.1 311
  97 45.2 452
  98 2.73 27
  99 4.5 45
  100 2.4 24
  101 5.8 58
  106 0.08 1
  107 4.5 45
  108 3.7 37
  109 14.1 141
  110 1.7 17
  111 24 240
  112 7.8 78
  113 2.9 29
  114 0.33 3
  115 4.5 45
  118 0.8 8
  119 1.6 16
  120 0.2 2
  121 8.2 82
  122 2.9 29
  123 12.8 128
  124 1.12 11
  125 13.2 132
  126 1.2 12
  127 2.9 29
  128 0.2 2
  129 5.3 53
  133 3.3 33
  134 4.1 41
  135 0.58 6
  136 1.6 16
  137 7 70
  138 8.7 87
  139 0.78 8
  140 1.6 16
  141 5.3 53
  143 5.3 53
  144 0.08 1
  146 0.8 8
  147 1.6 16
  148 2.4 24
  149 0.49 5
  150 1.2 12
  151 4.5 45
  152 8.2 82
  153 0.53 5
  155 0.8 8
  161 1.2 12
  162 2 20
  163 0.24 2
  164 1.2 12
  165 2.4 24
  166 4.5 45
  167 0.2 2
  169 2 20
  171 1.2 12
  172 0.8 8
  173 0.16 2
  177 1.2 12
  179 2.4 24
  180 2 20
  181 0.12 1
  182 0.8 8
  183 0.8 8
  185 0.8 8
  191 0.12 1
  193 2.4 24
  194 2.9 29
  195 0.8 8
  196 0.16 2
  200 1.6 16
  204 1.6 16
  206 1.6 16
  208 0.24 2
  217 1.6 16
  220 2 20
  221 2 20
  222 0.58 6
  224 1.6 16
  225 2 20
  227 1.2 12
  232 0.12 1
  235 2.4 24
  236 6.6 66
  237 2.4 24
  238 0.12 1
  239 2 20
  241 1.2 12
  249 1.6 16
  250 0.33 3
  255 1.2 12
  256 1.6 16
  263 2 20
  264 0.37 4
  270 1.2 12
  277 2.4 24
  278 7.4 74
  279 0.2 2
  291 2.9 29
  292 2 20
  302 2.4 24
  320 2.28 23
  321 13.2 132
  322 3.7 37
  352 3.3 33
  353 0.08 1
  354 1.2 12
//
