ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003324
RECORD_TITLE: 2-BUTOXYETHYL 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$NAME: 2-BUTOXYETHYL 9-OCTADECENOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C24H46O3
CH$EXACT_MASS: 382.34470
CH$SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCCOCCCC
CH$IUPAC: InChI=1S/C24H46O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(25)27-23-22-26-21-6-4-2/h12-13H,3-11,14-23H2,1-2H3/b13-12+
CH$LINK: INCHIKEY LBUOSVPOVIEPLJ-OUKQBFOZSA-N
AC$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: splash10-0pb9-9200000000-c9494fcf5f167c085db8
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  44 9.5 95
  45 34 340
  53 16.2 162
  54 89.1 891
  55 89 890
  56 99.99 999
  57 6.4 64
  58 0.39 4
  59 12.2 122
  60 6 60
  63 3.5 35
  67 2.95 30
  68 16 160
  69 59 590
  70 12.6 126
  71 1.75 18
  73 14.4 144
  74 4.2 42
  79 7.1 71
  80 0.6 6
  81 28.2 282
  82 19.4 194
  83 34.1 341
  84 2.1 21
  85 68.7 687
  86 8.5 85
  87 9.7 97
  88 0.59 6
  91 3.2 32
  93 5.1 51
  94 4.9 49
  95 2.11 21
  96 17.1 171
  97 22.1 221
  98 42.6 426
  99 2.16 22
  100 38.6 386
  101 30.5 305
  102 5 50
  105 0.43 4
  107 3.5 35
  108 4.3 43
  109 12.1 121
  110 1.04 10
  111 12.6 126
  112 15.5 155
  113 4.3 43
  115 0.47 5
  116 3.5 35
  117 10 100
  119 4.5 45
  121 0.45 5
  123 8.8 88
  124 6.7 67
  125 6.6 66
  126 0.44 4
  127 3.3 33
  129 5.7 57
  135 3.7 37
  137 0.91 9
  138 6.3 63
  139 3.7 37
  141 3.7 37
  142 0.37 4
  151 7.5 75
  152 7 70
  153 3.2 32
  155 0.91 9
  157 2.8 28
  160 6.5 65
  165 4 40
  166 0.49 5
  169 3.3 33
  171 3.1 31
  173 3.3 33
  180 0.35 4
  183 3.3 33
  211 5.6 56
  236 6.4 64
  237 0.33 3
  239 3.9 39
  256 5.1 51
  257 3.9 39
  264 3.63 36
  265 14 140
  308 7.9 79
  309 5.6 56
  311 0.33 3
  382 12.1 121
  383 8 80
//
