ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002665
RECORD_TITLE: METHYL EICOSANOATE; 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$NAME: METHYL EICOSANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₂O₂
CH$EXACT_MASS: 326.31848
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C21H42O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY QGBRLVONZXHAKJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2061515

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$SPLASH: splash10-002u-9742000000-94bbdb48bccde8416ebd
PK$NUM_PEAK: 112
PK$PEAK: m/z int. rel.int.
  43 1.4 14
  55 6.1 61
  56 0.5 5
  57 0.61 6
  59 2.6 26
  67 2.5 25
  68 1 10
  69 1.09 11
  70 2.9 29
  71 6.2 62
  73 1.9 19
  74 9.95 100
  75 24.8 248
  76 1.2 12
  79 1.2 12
  81 0.32 3
  82 2.2 22
  83 12 120
  84 5 50
  85 0.54 5
  87 99.99 999
  88 8.4 84
  89 0.6 6
  93 0.13 1
  94 0.7 7
  95 2.9 29
  96 1.6 16
  97 1.43 14
  98 6.6 66
  99 1.8 18
  101 11.3 113
  102 0.12 1
  107 1.1 11
  108 0.8 8
  109 2.9 29
  111 7.6 76
  112 2.7 27
  113 1.4 14
  115 0.63 6
  116 2.8 28
  118 0.18 2
  121 2.3 23
  122 0.6 6
  123 0.27 3
  124 1.1 11
  125 5.5 55
  126 1 10
  127 0.11 1
  129 20 200
  130 4.5 45
  131 0.7 7
  133 0.08 1
  135 1.8 18
  137 1.7 17
  138 0.7 7
  139 0.35 4
  140 0.6 6
  141 1 10
  143 59 590
  144 0.58 6
  145 0.9 9
  149 1 10
  151 0.8 8
  153 0.22 2
  157 6 60
  158 1.5 15
  163 1.5 15
  165 0.07 1
  167 1.7 17
  171 7.1 71
  172 1.8 18
  177 0.12 1
  179 0.6 6
  181 1.3 13
  185 14.2 142
  186 0.36 4
  191 1.2 12
  192 0.6 6
  195 1.2 12
  199 1.71 17
  200 2.6 26
  205 0.8 8
  207 0.3 3
  208 0.06 1
  209 0.4 4
  213 4.5 45
  214 1.2 12
  219 0.01 0
  221 0.4 4
  223 0.6 6
  227 16 160
  228 0.32 3
  241 11 110
  242 2.1 21
  250 0.9 9
  255 0.55 6
  256 0.8 8
  269 4.8 48
  270 1.4 14
  282 0.09 1
  283 34.5 345
  284 7 70
  285 0.6 6
  292 0.08 1
  293 0.7 7
  295 11.9 119
  296 3 30
  297 0.79 8
  298 1.6 16
  326 42.2 422
  327 9.4 94
  328 1 10
//