ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001775
RECORD_TITLE: EICOSANOIC ACID BUTYL 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$NAME: EICOSANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₄H₄₈O₂
CH$EXACT_MASS: 368.36543
CH$SMILES: CCCCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C24H48O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(25)26-23-6-4-2/h3-23H2,1-2H3
CH$LINK: INCHIKEY WZRBMKGXBAVSQL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3067239

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$SPLASH: splash10-0a4i-9312000000-5c18561353183b7e2035
PK$NUM_PEAK: 91
PK$PEAK: m/z int. rel.int.
  41 1.1 11
  43 1.83 18
  55 1.12 11
  56 99.99 999
  57 19.23 192
  58 0.52 5
  60 11.48 115
  61 15.89 159
  69 1.51 15
  70 0.96 10
  71 7.23 72
  73 19.2 192
  74 1.52 15
  81 0.7 7
  82 0.8 8
  83 3.44 34
  84 3.38 34
  85 5.49 55
  86 0.6 6
  87 3.09 31
  88 0.3 3
  95 0.92 9
  96 0.88 9
  97 4.42 44
  98 3.85 39
  99 2.25 23
  101 6.27 63
  102 0.7 7
  109 0.92 9
  110 0.4 4
  111 3.16 32
  112 0.99 10
  113 1.34 13
  115 2.79 28
  116 18.61 186
  117 12.77 128
  118 0.6 6
  123 0.27 3
  125 1.7 17
  126 0.37 4
  127 0.89 9
  129 19.49 195
  130 1.82 18
  135 0.22 2
  139 1.1 11
  141 0.57 6
  142 0.21 2
  143 1.77 18
  153 0.64 6
  155 0.41 4
  157 1.4 14
  158 0.69 7
  167 0.41 4
  171 2.88 29
  172 0.81 8
  181 0.22 2
  185 5.81 58
  186 0.73 7
  195 0.21 2
  199 0.79 8
  208 0.12 1
  209 0.23 2
  213 1.84 18
  214 0.3 3
  227 1.67 17
  228 0.28 3
  241 1.35 14
  250 0.25 3
  255 0.67 7
  265 0.23 2
  269 3.56 36
  270 0.93 9
  283 1.03 10
  284 0.3 3
  292 0.37 4
  293 0.78 8
  294 0.27 3
  295 10.02 100
  296 2.08 21
  297 0.29 3
  311 0.64 6
  312 11.25 113
  313 25 250
  314 5.33 53
  315 0.53 5
  325 1.37 14
  326 0.19 2
  367 0.16 2
  368 13.94 139
  369 3.83 38
  370 0.54 5
//