ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003323
RECORD_TITLE: BUTYL 9-OCTADECENOATE; 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$NAME: BUTYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₂
CH$EXACT_MASS: 338.31848
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C22H42O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(23)24-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3/b13-12+
CH$LINK: INCHIKEY WIBFFTLQMKKBLZ-OUKQBFOZSA-N

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0pb9-9210000000-d0f86c15359e4d529b8d
PK$NUM_PEAK: 89
PK$PEAK: m/z int. rel.int.
  43 54.4 544
  45 2.4 24
  53 6.1 61
  54 99.99 999
  55 93.1 931
  56 94.7 947
  57 3 30
  59 1.25 13
  60 7.8 78
  67 33.4 334
  68 17.6 176
  69 6.08 61
  70 19.1 191
  71 14.2 142
  73 15.3 153
  79 0.85 9
  80 5.7 57
  81 28.9 289
  82 17.9 179
  83 4.76 48
  84 25.8 258
  85 9.1 91
  87 5.1 51
  91 0.27 3
  93 5.2 52
  94 5.5 55
  95 20.8 208
  96 2.22 22
  97 37.9 379
  98 30.1 301
  99 5.2 52
  101 0.85 9
  107 4.3 43
  108 3.8 38
  109 12.8 128
  110 1.33 13
  111 19.8 198
  112 8.9 89
  113 3.2 32
  114 0.47 5
  115 5.4 54
  116 6.3 63
  117 4.3 43
  119 0.27 3
  121 4.9 49
  123 10.9 109
  124 7.1 71
  125 0.99 10
  126 3.8 38
  127 4.7 47
  133 3 30
  135 0.49 5
  137 7.8 78
  138 6 60
  139 6 60
  147 0.27 3
  149 3.4 34
  151 6.5 65
  152 7.7 77
  153 0.54 5
  165 5.1 51
  166 5.1 51
  167 3.4 34
  169 0.3 3
  171 2.9 29
  179 3.7 37
  180 8.8 88
  181 0.3 3
  183 4.3 43
  185 4 40
  193 2.7 27
  194 0.38 4
  220 4.1 41
  221 2.9 29
  222 9.2 92
  223 0.29 3
  236 5.4 54
  237 3.7 37
  239 3.5 35
  246 0.29 3
  257 5.8 58
  263 4.7 47
  264 34.5 345
  265 2.61 26
  266 4.3 43
  283 2.4 24
  312 3.5 35
  338 0.88 9
  339 4.3 43
//