ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003322
RECORD_TITLE: ETHYL 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$NAME: ETHYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₀H₃₈O₂
CH$EXACT_MASS: 310.28718
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC
CH$IUPAC: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11+
CH$LINK: INCHIKEY LVGKNOAMLMIIKO-VAWYXSNFSA-N
CH$LINK: COMPTOX DTXSID00110052

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$SPLASH: splash10-0udi-9310000000-09258099745f0ed4ee7d
PK$NUM_PEAK: 92
PK$PEAK: m/z int. rel.int.
  45 10.8 108
  53 30 300
  54 99.99 999
  55 22.7 227
  56 45.8 458
  57 1.8 18
  58 4.4 44
  59 1.51 15
  60 13.3 133
  65 2.6 26
  66 2.5 25
  67 4.68 47
  68 24.1 241
  69 87.4 874
  70 26.2 262
  71 1.45 15
  73 19.5 195
  74 11.2 112
  77 3 30
  79 1.16 12
  80 6.7 67
  81 39.5 395
  82 24.5 245
  83 7.18 72
  84 41.4 414
  85 10.5 105
  87 10.2 102
  88 9.43 94
  89 16.3 163
  91 3.7 37
  93 7 70
  94 0.7 7
  95 28.1 281
  96 36.5 365
  97 40.9 409
  98 3.66 37
  99 4.8 48
  101 65.8 658
  102 5.5 55
  107 0.47 5
  108 4.7 47
  109 15.3 153
  110 18.5 185
  111 2.02 20
  112 8.5 85
  115 10 100
  119 3.7 37
  121 0.63 6
  123 12.3 123
  124 8.1 81
  125 10 100
  126 0.35 4
  128 3.5 35
  129 6.2 62
  133 2.7 27
  134 0.25 3
  135 5 50
  137 9 90
  138 7.7 77
  139 0.66 7
  141 3.6 36
  142 3.5 35
  143 7.2 72
  147 0.26 3
  149 2.6 26
  151 6.3 63
  152 8.2 82
  153 0.45 5
  155 8.1 81
  157 10.5 105
  165 4.2 42
  166 0.62 6
  169 2.6 26
  171 2.8 28
  180 9.3 93
  185 0.26 3
  194 3.8 38
  199 3 30
  213 4.5 45
  220 0.37 4
  222 15.8 158
  223 3.2 32
  236 5.1 51
  246 0.26 3
  264 37.4 374
  265 20 200
  266 3 30
  284 0.53 5
  285 2.1 21
  310 12.7 127
  311 10.6 106
  312 3.5 35
//