ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001784
RECORD_TITLE: EICOSANOIC ACID HEXYL 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$NAME: EICOSANOIC ACID HEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₆H₅₂O₂
CH$EXACT_MASS: 396.39673
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-26(27)28-25-23-8-6-4-2/h3-25H2,1-2H3
CH$LINK: INCHIKEY MPLBHUPXLJXOLF-UHFFFAOYSA-N

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$SPLASH: splash10-03e9-9202000000-e3456f2affb86505e479
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  42 2.82 28
  43 14.08 141
  44 0.29 3
  55 3.07 31
  56 24.87 249
  57 14.12 141
  58 0.82 8
  60 8.7 87
  61 56.43 564
  62 1.4 14
  68 0.78 8
  69 7.61 76
  70 1.97 20
  71 7.88 79
  73 16.05 161
  74 1.42 14
  81 0.69 7
  82 1.86 19
  83 5.36 54
  84 99.99 999
  85 22.7 227
  86 1.56 16
  87 3.09 31
  95 1.24 12
  96 1.34 13
  97 4.44 44
  98 5.02 50
  99 2.34 23
  101 2.03 20
  102 0.98 10
  109 1 10
  110 0.55 6
  111 2.96 30
  112 3.77 38
  113 2.09 21
  115 3.97 40
  116 2.34 23
  117 0.25 3
  123 0.68 7
  125 1.73 17
  126 0.5 5
  127 1.07 11
  129 11.78 118
  130 1.37 14
  135 0.32 3
  137 0.23 2
  139 1.13 11
  140 0.21 2
  141 0.64 6
  143 1.31 13
  144 3.71 37
  145 7.93 79
  146 0.75 8
  149 0.2 2
  153 0.81 8
  154 0.33 3
  155 0.35 4
  157 6.13 61
  158 0.81 8
  167 0.56 6
  168 0.18 2
  169 0.2 2
  171 1.91 19
  172 0.56 6
  181 0.36 4
  183 0.13 1
  185 2.83 28
  186 0.54 5
  195 0.22 2
  199 1.2 12
  200 0.38 4
  208 0.15 2
  209 0.37 4
  213 3.73 37
  214 0.64 6
  223 0.14 1
  227 1.59 16
  228 0.2 2
  241 1.08 11
  242 0.2 2
  250 0.5 5
  255 0.8 8
  267 0.23 2
  269 3.43 34
  270 0.66 7
  283 0.86 9
  284 0.76 8
  285 1.04 10
  286 0.18 2
  292 0.63 6
  293 0.97 10
  294 0.33 3
  295 7.87 79
  296 1.67 17
  297 0.37 4
  311 0.89 9
  312 16.88 169
  313 39.37 394
  314 8.2 82
  315 1.06 11
  353 0.43 4
  395 0.11 1
  396 13.13 131
  397 3.66 37
  398 0.54 5
//