ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002190
RECORD_TITLE: CIS-5-EICOSENOIC 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$NAME: CIS-5-EICOSENOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₂
CH$EXACT_MASS: 324.30283
CH$SMILES: CCCCCCCCCCCCCCC=CCCCC(=O)OC
CH$IUPAC: InChI=1S/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h16-17H,3-15,18-20H2,1-2H3/b17-16-
CH$LINK: INCHIKEY DCELZGFMHKOOJH-MSUUIHNZSA-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$SPLASH: splash10-05o1-9310000000-a6697956cb8bd50b7101
PK$NUM_PEAK: 157
PK$PEAK: m/z int. rel.int.
  43 5.3 53
  47 2.2 22
  48 0.7 7
  52 0.07 1
  53 7.6 76
  54 27.4 274
  55 99.99 999
  56 1.9 19
  57 50.3 503
  58 1.5 15
  61 1.5 15
  62 0.22 2
  64 0.7 7
  65 6.1 61
  66 0.7 7
  67 6.94 69
  68 56.4 564
  69 60.3 603
  70 19 190
  71 2.06 21
  72 0.7 7
  74 83.9 839
  75 17.5 175
  77 0.15 2
  78 5.3 53
  79 17.5 175
  80 16 160
  81 6.48 65
  82 47.3 473
  83 69.4 694
  84 69.4 694
  85 2.21 22
  87 32.8 328
  88 6.1 61
  91 4.5 45
  92 0.3 3
  93 4.5 45
  94 10.6 106
  95 37.4 374
  96 9.08 91
  97 71.7 717
  98 47.3 473
  99 9.9 99
  101 0.91 9
  102 0.7 7
  105 3.8 38
  107 6.1 61
  108 0.61 6
  109 29.7 297
  110 38.1 381
  111 37.4 374
  112 1.29 13
  113 3.8 38
  114 7.6 76
  115 6.8 68
  116 0.15 2
  118 3.8 38
  119 4.5 45
  120 0.7 7
  121 1.06 11
  122 3 30
  123 24.4 244
  124 18.3 183
  125 1.67 17
  126 1.5 15
  127 6.8 68
  128 6.8 68
  129 0.76 8
  130 1.5 15
  131 1.5 15
  132 3 30
  133 0.3 3
  134 10.6 106
  135 9.9 99
  136 0.7 7
  137 1.22 12
  138 12.2 122
  139 6.8 68
  140 1.5 15
  141 1.37 14
  142 0.7 7
  143 3 30
  144 3.8 38
  147 0.22 2
  148 9.1 91
  149 4.5 45
  150 0.7 7
  151 1.06 11
  152 14.5 145
  153 4.5 45
  155 3 30
  157 0.15 2
  161 0.7 7
  162 3.8 38
  163 1.5 15
  164 0.38 4
  165 4.5 45
  166 7.6 76
  167 1.5 15
  169 0.3 3
  172 1.5 15
  173 3.8 38
  176 3.8 38
  177 0.15 2
  179 3 30
  180 3 30
  181 2.2 22
  182 0.3 3
  187 4.5 45
  191 0.7 7
  194 10.6 106
  196 0.3 3
  199 3.8 38
  203 0.7 7
  204 0.7 7
  205 0.07 1
  206 3 30
  207 3.8 38
  208 14.5 145
  210 0.3 3
  211 0.7 7
  214 0.7 7
  219 0.7 7
  220 0.15 2
  221 5.3 53
  222 4.5 45
  224 2.2 22
  225 0.22 2
  227 3 30
  228 2.2 22
  235 0.7 7
  236 0.38 4
  237 2.2 22
  241 3 30
  242 0.7 7
  248 0.61 6
  249 6.8 68
  250 22.9 229
  251 6.1 61
  252 0.07 1
  253 1.5 15
  255 0.7 7
  256 0.7 7
  260 0.07 1
  262 0.7 7
  264 3.8 38
  267 2.2 22
  274 0.45 5
  275 7.6 76
  277 0.7 7
  278 1.5 15
  283 0.07 1
  292 35.1 351
  293 12.2 122
  294 2.2 22
  324 0.45 5
  325 0.7 7
//