ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001773
RECORD_TITLE: OCTADECANOIC 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$NAME: OCTADECANOIC ACID BUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₄O₂
CH$EXACT_MASS: 340.33413
CH$SMILES: CCCCCCCCCCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H44O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY ULBTUVJTXULMLP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027013

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$SPLASH: splash10-0a4i-9430000000-c10587cd208c325f1f43
PK$NUM_PEAK: 124
PK$PEAK: m/z int. rel.int.
  27 0.61 6
  29 0.53 5
  32 0.33 3
  41 1.23 12
  43 2.56 26
  55 1.48 15
  56 99.99 999
  57 18.04 180
  58 1.32 13
  60 13.52 135
  61 15.43 154
  62 0.29 3
  67 0.31 3
  68 0.38 4
  69 2.22 22
  70 1.08 11
  71 7.64 76
  72 0.48 5
  73 17.27 173
  74 1.81 18
  81 0.85 9
  82 0.85 9
  83 4.05 41
  84 3.81 38
  85 5.71 57
  86 0.59 6
  87 3.29 33
  88 0.55 6
  89 0.19 2
  95 1.18 12
  96 1.06 11
  97 4.89 49
  98 4.71 47
  99 2.2 22
  100 0.26 3
  101 7.46 75
  102 1.05 11
  103 0.31 3
  109 0.84 8
  110 0.59 6
  111 2.57 26
  112 1.13 11
  113 1.28 13
  114 0.14 1
  115 3.28 33
  116 17.7 177
  117 10.51 105
  118 0.62 6
  121 0.41 4
  123 0.55 6
  124 0.23 2
  125 1.81 18
  126 0.42 4
  127 0.88 9
  129 19.52 195
  130 2.21 22
  131 0.17 2
  135 0.41 4
  137 0.33 3
  138 0.13 1
  139 0.99 10
  140 0.38 4
  141 0.53 5
  142 0.12 1
  143 2.12 21
  144 0.26 3
  149 0.31 3
  151 0.21 2
  152 0.14 1
  153 0.7 7
  154 0.28 3
  155 0.41 4
  157 0.99 10
  158 0.58 6
  163 0.19 2
  166 0.11 1
  167 0.47 5
  168 0.18 2
  169 0.23 2
  171 2.33 23
  172 0.95 10
  180 0.16 2
  181 0.4 4
  182 0.12 1
  185 6.96 70
  186 1.02 10
  187 0.11 1
  195 0.31 3
  196 0.18 2
  199 1.5 15
  200 0.26 3
  209 0.2 2
  213 0.62 6
  214 0.18 2
  222 0.56 6
  223 0.27 3
  224 0.2 2
  225 0.14 1
  227 1.38 14
  228 0.31 3
  237 1.38 14
  241 5.25 53
  242 0.99 10
  247 0.3 3
  248 0.22 2
  255 1.28 13
  256 0.25 3
  264 0.56 6
  265 0.7 7
  266 0.47 5
  267 14.55 146
  268 2.99 30
  269 0.36 4
  283 0.86 9
  284 9.12 91
  285 25.51 255
  286 4.91 49
  287 0.64 6
  297 1.32 13
  298 0.34 3
  311 0.27 3
  340 16.09 161
  341 4.67 47
  342 0.73 7
//